| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.3 | Very low | 42 | Very low | 245 Ų | 245 | 146.1 Ų | 146.1 | 100% | 1.207 | 86% | 0.855 | S | S | * | * | 0 | 109.2 | 0 | -67.7 | -164.3 | -170.2 | 0 | 0 | 108 | |||||
| 2 | L | 39.8 | Very low | 41.9 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 93% | 0.932 | 85% | 0.846 | S | S | * | * | trans | -151.9 | 147.8 | 165.4 | -90.2 | 172.5 | 0 | 0 | 0 | 108.5 | ||||
| 3 | C | 36.8 | Very low | 42.4 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 86% | 0.858 | 84% | 0.841 | S | S | * | * | trans | -86.3 | 171.5 | -148.8 | -59.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 4 | S | 41.3 | Very low | 42.9 | Very low | 92 Ų | 92 | 142.6 Ų | 142.6 | 64% | 0.643 | 83% | 0.832 | S | S | * | * | trans | -72 | 169.9 | -173 | -50.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 5 | H | 42.4 | Very low | 43 | Very low | 192 Ų | 192 | 145.2 Ų | 145.2 | 89% | 0.889 | 84% | 0.836 | S | S | * | * | trans | 97.2 | 123.4 | 146.9 | -52.9 | -58.5 | 0 | 0 | 0 | 119.3 | ||||
| 6 | G | 37.2 | Very low | 42.9 | Very low | 76 Ų | 76 | 144.2 Ų | 144.2 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | -176.3 | 87.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 7 | F | 40.4 | Very low | 43 | Very low | 198 Ų | 198 | 147.4 Ų | 147.4 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | -117.4 | 144.8 | 149 | -89.7 | -71.3 | 0 | 0 | 0 | 105.2 | ||||
| 8 | P | 45.9 | Very low | 43.4 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | -142 | 163.5 | 72.9 | 33.3 | -13.2 | 0 | 0 | 0 | 116 | |||||
| 9 | S | 47 | Very low | 43.5 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | trans | -68 | 148.6 | 172.6 | -49.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 10 | A | 41.8 | Very low | 43.9 | Very low | 87 Ų | 87 | 146.9 Ų | 146.9 | 72% | 0.719 | 82% | 0.818 | S | S | * | * | trans | -172.7 | 117.3 | 136.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 11 | L | 43.4 | Very low | 44.3 | Very low | 176 Ų | 176 | 145 Ų | 145 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | 56 | 115.8 | 132.7 | -57.4 | 168 | 0 | 0 | 0 | 120.4 | ||||
| 12 | S | 40.4 | Very low | 44.6 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -66.7 | 170 | 168.1 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 13 | P | 49 | Very low | 45.2 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | -143.5 | 150.9 | 72.9 | 30.6 | -9.1 | 0 | 0 | 0 | 117 | |||||
| 14 | F | 49.1 | Very low | 46.2 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | trans | -15.6 | 132.1 | 149.5 | -100.7 | -114.1 | 0 | 0 | 0 | 116.9 | D16 | F14-D16 VanDerWaalsContact CD1-OD2 3.31Å; F14-D16 WeakPolarHBondContact CD1-OD2 3.02Å; F14-D16 VanDerWaalsContact CE1-OD2 3.32Å; F14-D16 WeakPolarHBondContact CE1-OD2 3.36Å | ||
| 15 | M | 44.4 | Very low | 46.7 | Very low | 181 Ų | 181 | 146.7 Ų | 146.7 | 89% | 0.892 | 78% | 0.783 | S | S | * | * | trans | -134.8 | 106.3 | 143.3 | -73.8 | -153 | 128.2 | 0 | 0 | 109.3 | ||||
| 16 | D | 40.9 | Very low | 47.2 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | -73 | 121.6 | 169.1 | -78.1 | -45.3 | 0 | 0 | 0 | 109.7 | F14 S18 | F14-D16 VanDerWaalsContact CD1-OD2 3.31Å; F14-D16 WeakPolarHBondContact CD1-OD2 3.02Å; F14-D16 VanDerWaalsContact CE1-OD2 3.32Å; F14-D16 WeakPolarHBondContact CE1-OD2 3.36Å; D16-S18 PolarHBondContact O-N 3.1Å | ||
| 17 | F | 45 | Very low | 48 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -76.6 | 97.2 | 166 | -91.4 | -96.1 | 0 | 0 | 0 | 109.2 | ||||
| 18 | S | 50.1 | Low | 49 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -92.8 | 99.3 | 169.9 | 64.9 | 0 | 0 | 0 | 0 | 110.8 | D16 | D16-S18 PolarHBondContact O-N 3.1Š| ||
| 19 | W | 46.1 | Very low | 49.7 | Very low | 223 Ų | 223 | 146.3 Ų | 146.3 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | -98.4 | 123.2 | 157.3 | -93.4 | 31.3 | 0 | 0 | 0 | 108.7 | V21 | W19-V21 HydrophobicContact CE3-CG2 4.22Š| ||
| 20 | P | 50.6 | Low | 50.4 | Low | 106 Ų | 106 | 145 Ų | 145 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | trans | -98.4 | 94.8 | 160.6 | 33.8 | -21.7 | 0 | 0 | 0 | 107.6 | R22 | P20-R22 PolarHBondContact O-N 3.25Š| ||
| 21 | V | 51.8 | Low | 51.2 | Low | 108 Ų | 108 | 147.5 Ų | 147.5 | 66% | 0.655 | 75% | 0.749 | S | S | * | * | trans | -67.5 | 91.6 | 152.5 | 173.6 | 0 | 0 | 0 | 0 | 105.3 | W19 S23 | W19-V21 HydrophobicContact CE3-CG2 4.22Å; V21-S23 PolarHBondContact O-N 3.11Å | ||
| 22 | R | 52.8 | Low | 52.1 | Low | 222 Ų | 222 | 145.8 Ų | 145.8 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | trans | -70.4 | 86.1 | 165.1 | -76.3 | -173.2 | 178.8 | -103.5 | 1.4 | 106.9 | P20 L24 | P20-R22 PolarHBondContact O-N 3.25Å; R22-L24 PolarHBondContact O-N 3.29Å | ||
| 23 | S | 51.8 | Low | 53.5 | Low | 79 Ų | 79 | 148.2 Ų | 148.2 | 55% | 0.552 | 73% | 0.728 | S | S | * | * | trans | -60.7 | 105 | 162 | -54.9 | 0 | 0 | 0 | 0 | 107 | V21 W25 | V21-S23 PolarHBondContact O-N 3.11Å; S23-W25 PolarHBondContact O-N 2.93Å | ||
| 24 | L | 58.8 | Low | 54.7 | Low | 174 Ų | 174 | 149.1 Ų | 149.1 | 91% | 0.911 | 72% | 0.722 | S | S | * | * | trans | -62.7 | 79.4 | 163.6 | -79 | 152.8 | 0 | 0 | 0 | 107.7 | R22 | R22-L24 PolarHBondContact O-N 3.29Š| ||
| 25 | W | 51.5 | Low | 56 | Low | 202 Ų | 202 | 146.5 Ų | 146.5 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | -74.1 | 131.2 | 165.6 | -90.3 | 64.9 | 0 | 0 | 0 | 107.7 | S23 E27 V28 | S23-W25 PolarHBondContact O-N 2.93Å; W25-E27 PolarHBondContact O-N 2.91Å; W25-V28 HydrophobicContact CE3-CG2 4.11Å | ||
| 26 | P | 52.7 | Low | 57.7 | Low | 103 Ų | 103 | 143.4 Ų | 143.4 | 67% | 0.669 | 70% | 0.695 | S | S | * | * | trans | -56.8 | 143.2 | 170.2 | -15.7 | 28.7 | 0 | 0 | 0 | 108 | V28 | P26-V28 WeakPolarHBondContact O-CG2 3.45Å; P26-V28 PolarHBondContact O-N 3.32Å | ||
| 27 | E | 55.1 | Low | 59.9 | Low | 181 Ų | 181 | 139.8 Ų | 139.8 | 85% | 0.846 | 68% | 0.678 | S | S | * | * | trans | -57.1 | 87.8 | 169.5 | -167.3 | 76.7 | -155.6 | 0 | 0 | 108.2 | W25 R29 | W25-E27 PolarHBondContact O-N 2.91Å; E27-R29 VanDerWaalsContact C-N 3.25Å; E27-R29 PolarHBondContact O-N 3.27Å | ||
| 28 | V | 60.6 | Low | 61.9 | Low | 100 Ų | 100 | 135.6 Ų | 135.6 | 61% | 0.606 | 66% | 0.662 | S | S | * | * | trans | -73.1 | 92 | 178.6 | -151.6 | 0 | 0 | 0 | 0 | 104.4 | W25 P26 P30 | W25-V28 HydrophobicContact CE3-CG2 4.11Å; P26-V28 WeakPolarHBondContact O-CG2 3.45Å; P26-V28 PolarHBondContact O-N 3.32Å; V28-P30 WeakPolarHBondContact O-CD 3.41Å | ||
| 29 | R | 60.6 | Low | 63.7 | Low | 202 Ų | 202 | 136.3 Ų | 136.3 | 76% | 0.762 | 65% | 0.654 | S | S | * | * | trans | -52.1 | 113 | 170.4 | -71.2 | -173.6 | 178.7 | -170.9 | 0.1 | 106.1 | E27 L31 | E27-R29 VanDerWaalsContact C-N 3.25Å; E27-R29 PolarHBondContact O-N 3.27Å; R29-L31 PolarHBondContact O-N 3.01Å | ||
| 30 | P | 61.8 | Low | 65.8 | Low | 80 Ų | 80 | 133.7 Ų | 133.7 | 52% | 0.519 | 64% | 0.644 | S | S | . | * | trans | -59.6 | 130.7 | -174.8 | -22 | 32.4 | 0 | 0 | 0 | 108.1 | V28 F32 Y33 | V28-P30 WeakPolarHBondContact O-CD 3.41Å; P30-F32 HydrophobicContact CB-CB 4.47Å; P30-F32 HydrophobicContact CB-CD2 4.29Å; P30-F32 PolarHBondContact O-N 3.02Å; P30-Y33 PolarHBondContact O-N 3.1Å | ||
| 31 | L | 59 | Low | 67.8 | Low | 139 Ų | 139 | 132.6 Ų | 132.6 | 73% | 0.728 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -50.7 | -24.9 | 178.1 | -67.8 | 172.6 | 0 | 0 | 0 | 112.1 | R29 Q34 Q35 | R29-L31 PolarHBondContact O-N 3.01Å; L31-Q34 PolarHBondContact O-N 3.27Å; L31-Q35 WeakPolarHBondContact O-CB 3.34Å; L31-Q35 PolarHBondContact O-N 3.41Å |
| 32 | F | 62.3 | Low | 69.8 | Low | 140 Ų | 140 | 132 Ų | 132 | 61% | 0.614 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.6 | -38.5 | 173.2 | -62.4 | -72.3 | 0 | 0 | 0 | 114.4 | P30 Q35 H36 | P30-F32 HydrophobicContact CB-CB 4.47Å; P30-F32 HydrophobicContact CB-CD2 4.29Å; P30-F32 PolarHBondContact O-N 3.02Å; F32-Q35 PolarHBondContact O-N 3.41Å; F32-H36 PolarHBondContact O-N 2.89Å; F32-H36 PolarHBondContact O-ND1 2.96Å |
| 33 | Y | 70 | Confident | 71.8 | Confident | 159 Ų | 159 | 128.2 Ų | 128.2 | 62% | 0.624 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.3 | -45.1 | 177.6 | 179.9 | -97.3 | 0 | 0 | 0 | 110.6 | P30 Q35 H36 V37 | P30-Y33 PolarHBondContact O-N 3.1Å; Y33-Q35 VanDerWaalsContact C-N 3.27Å; Y33-Q35 PolarHBondContact O-N 2.75Å; Y33-H36 PolarHBondContact O-N 3.07Å; Y33-V37 HydrophobicContact CD1-CG2 4.18Å; Y33-V37 HydrophobicContact CE1-CG2 3.75Å; Y33-V37 HydrophobicContact CE2-CG2 4.37Å; Y33-V37 WeakPolarHBondContact O-CG2 3.22Å; Y33-V37 PolarHBondContact O-N 2.96Å |
| 34 | Q | 74.8 | Confident | 73.8 | Confident | 139 Ų | 139 | 130.1 Ų | 130.1 | 65% | 0.65 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.3 | -36 | 176.9 | -170.8 | 171 | -47.6 | 0 | 0 | 111.8 | L31 M38 | L31-Q34 PolarHBondContact O-N 3.27Å; Q34-M38 PolarHBondContact O-N 3.39Å; Q34-M38 VanDerWaalsContact O-N 3.1Å |
| 35 | Q | 74.6 | Confident | 75.5 | Confident | 107 Ų | 107 | 126.2 Ų | 126.2 | 50% | 0.5 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.6 | -45 | 174.5 | -172.2 | 178 | 11.3 | 0 | 0 | 112.6 | L31 F32 Y33 M38 Q39 | L31-Q35 WeakPolarHBondContact O-CB 3.34Å; L31-Q35 PolarHBondContact O-N 3.41Å; F32-Q35 PolarHBondContact O-N 3.41Å; Y33-Q35 VanDerWaalsContact C-N 3.27Å; Y33-Q35 PolarHBondContact O-N 2.75Å; Q35-M38 PolarHBondContact O-N 2.94Å; Q35-Q39 WeakPolarHBondContact O-CB 3.02Å; Q35-Q39 PolarHBondContact O-N 3.12Å |
| 36 | H | 81.4 | Confident | 77.6 | Confident | 117 Ų | 117 | 121.8 Ų | 121.8 | 54% | 0.542 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.2 | -37.3 | 178.5 | -74 | 107.2 | 0 | 0 | 0 | 112.6 | F32 Y33 Q39 R40 | F32-H36 PolarHBondContact O-N 2.89Å; F32-H36 PolarHBondContact O-ND1 2.96Å; Y33-H36 PolarHBondContact O-N 3.07Å; H36-Q39 PolarHBondContact O-N 2.86Å; H36-R40 WeakPolarHBondContact O-CB 3.25Å; H36-R40 PolarHBondContact O-N 3.46Å |
| 37 | V | 86.5 | Confident | 79.6 | Confident | 53 Ų | 53 | 120.4 Ų | 120.4 | 32% | 0.321 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.4 | -49.8 | 175.1 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | Y33 Q39 R40 D41 | Y33-V37 HydrophobicContact CD1-CG2 4.18Å; Y33-V37 HydrophobicContact CE1-CG2 3.75Å; Y33-V37 HydrophobicContact CE2-CG2 4.37Å; Y33-V37 WeakPolarHBondContact O-CG2 3.22Å; Y33-V37 PolarHBondContact O-N 2.96Å; V37-Q39 VanDerWaalsContact C-N 3.29Å; V37-Q39 PolarHBondContact O-N 2.93Å; V37-R40 WeakPolarHBondContact O-CB 3.33Å; V37-R40 PolarHBondContact O-N 2.83Å; V37-D41 VanDerWaalsContact O-CG 3.22Å; V37-D41 PolarHBondContact O-N 3.28Å |
| 38 | M | 87 | Confident | 81.5 | Confident | 109 Ų | 109 | 115.1 Ų | 115.1 | 54% | 0.537 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.9 | -39.3 | 176.9 | -173.5 | -167.4 | 77 | 0 | 0 | 112.3 | Q34 Q35 D41 L42 | Q34-M38 PolarHBondContact O-N 3.39Å; Q34-M38 VanDerWaalsContact O-N 3.1Å; Q35-M38 PolarHBondContact O-N 2.94Å; M38-D41 PolarHBondContact O-N 3.48Å; M38-L42 HydrophobicContact CE-CD1 4.24Å; M38-L42 HydrophobicContact CG-CD1 4.17Å; M38-L42 HydrophobicContact CG-CG 4.48Å; M38-L42 WeakPolarHBondContact O-CB 2.91Å; M38-L42 VanDerWaalsContact O-CG 3.3Å; M38-L42 WeakPolarHBondContact O-CG 3.5Å; M38-L42 PolarHBondContact O-N 2.78Å |
| 39 | Q | 87.4 | Confident | 83 | Confident | 119 Ų | 119 | 114.2 Ų | 114.2 | 56% | 0.556 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.1 | -40 | 179 | -170 | 171.6 | 20.6 | 0 | 0 | 112 | Q35 H36 V37 Q43 | Q35-Q39 WeakPolarHBondContact O-CB 3.02Å; Q35-Q39 PolarHBondContact O-N 3.12Å; H36-Q39 PolarHBondContact O-N 2.86Å; V37-Q39 VanDerWaalsContact C-N 3.29Å; V37-Q39 PolarHBondContact O-N 2.93Å; Q39-Q43 WeakPolarHBondContact O-CB 3.49Å; Q39-Q43 PolarHBondContact O-N 3.35Å |
| 40 | R | 91.7 | Very high | 84.5 | Confident | 168 Ų | 168 | 109.2 Ų | 109.2 | 63% | 0.634 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.5 | -45.1 | 173.4 | 177.3 | -174.8 | 145.6 | 170.7 | -3.9 | 111.3 | H36 V37 L42 Q43 E44 | H36-R40 WeakPolarHBondContact O-CB 3.25Å; H36-R40 PolarHBondContact O-N 3.46Å; V37-R40 WeakPolarHBondContact O-CB 3.33Å; V37-R40 PolarHBondContact O-N 2.83Å; R40-L42 VanDerWaalsContact C-N 3.34Å; R40-L42 PolarHBondContact O-N 3.17Å; R40-Q43 WeakPolarHBondContact O-CB 3.47Å; R40-Q43 PolarHBondContact O-N 2.97Å; R40-E44 PolarHBondContact O-N 3.04Å |
| 41 | D | 92.1 | Very high | 86 | Confident | 84 Ų | 84 | 110.4 Ų | 110.4 | 45% | 0.449 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | -179.6 | -65.7 | -12.9 | 0 | 0 | 0 | 111.4 | V37 M38 Q43 E44 L45 | V37-D41 VanDerWaalsContact O-CG 3.22Å; V37-D41 PolarHBondContact O-N 3.28Å; M38-D41 PolarHBondContact O-N 3.48Å; D41-Q43 VanDerWaalsContact C-N 3.34Å; D41-E44 PolarHBondContact O-N 3.03Å; D41-L45 WeakPolarHBondContact O-CB 3.3Å; D41-L45 PolarHBondContact O-N 2.76Å |
| 42 | L | 93.5 | Very high | 87.4 | Confident | 96 Ų | 96 | 108.6 Ų | 108.6 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.7 | -35.8 | 174.4 | -73.5 | 174.8 | 0 | 0 | 0 | 112.4 | M38 R40 L45 H46 | M38-L42 HydrophobicContact CE-CD1 4.24Å; M38-L42 HydrophobicContact CG-CD1 4.17Å; M38-L42 HydrophobicContact CG-CG 4.48Å; M38-L42 WeakPolarHBondContact O-CB 2.91Å; M38-L42 VanDerWaalsContact O-CG 3.3Å; M38-L42 WeakPolarHBondContact O-CG 3.5Å; M38-L42 PolarHBondContact O-N 2.78Å; R40-L42 VanDerWaalsContact C-N 3.34Å; R40-L42 PolarHBondContact O-N 3.17Å; L42-L45 HydrophobicContact CD2-CD2 4.49Å; L42-L45 PolarHBondContact O-N 2.93Å; L42-H46 VanDerWaalsContact O-CB 3.31Å; L42-H46 WeakPolarHBondContact O-CB 3.33Å; L42-H46 PolarHBondContact O-N 2.98Å |
| 43 | Q | 94.6 | Very high | 88.5 | Confident | 141 Ų | 141 | 105 Ų | 105 | 66% | 0.659 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 174.6 | -174.8 | -176.6 | 1.9 | 0 | 0 | 111.3 | Q39 R40 D41 H46 S47 | Q39-Q43 WeakPolarHBondContact O-CB 3.49Å; Q39-Q43 PolarHBondContact O-N 3.35Å; R40-Q43 WeakPolarHBondContact O-CB 3.47Å; R40-Q43 PolarHBondContact O-N 2.97Å; D41-Q43 VanDerWaalsContact C-N 3.34Å; Q43-H46 PolarHBondContact O-N 2.85Å; Q43-S47 WeakPolarHBondContact O-CB 3.32Å; Q43-S47 PolarHBondContact O-N 2.8Å |
| 44 | E | 94.7 | Very high | 89.3 | Confident | 120 Ų | 120 | 103.6 Ų | 103.6 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | 175.7 | -172.1 | 169.7 | 173.3 | 0 | 0 | 111 | R40 D41 H46 S47 S48 | R40-E44 PolarHBondContact O-N 3.04Å; D41-E44 PolarHBondContact O-N 3.03Å; E44-H46 PolarHBondContact O-N 2.86Å; E44-S47 PolarHBondContact O-N 2.88Å; E44-S48 WeakPolarHBondContact O-CB 3.49Å; E44-S48 PolarHBondContact O-N 2.7Å |
| 45 | L | 94.5 | Very high | 89.7 | Confident | 91 Ų | 91 | 101 Ų | 101 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 174.1 | 179.9 | 62.7 | 0 | 0 | 0 | 111.6 | D41 L42 S47 S48 L49 | D41-L45 WeakPolarHBondContact O-CB 3.3Å; D41-L45 PolarHBondContact O-N 2.76Å; L42-L45 HydrophobicContact CD2-CD2 4.49Å; L42-L45 PolarHBondContact O-N 2.93Å; L45-S47 VanDerWaalsContact C-N 3.35Å; L45-S47 PolarHBondContact O-N 3.1Å; L45-S48 PolarHBondContact O-N 3.31Å; L45-L49 HydrophobicContact CD1-CD1 4.21Å; L45-L49 HydrophobicContact CD1-CG 4.13Å; L45-L49 HydrophobicContact CG-CD1 3.97Å; L45-L49 HydrophobicContact CG-CG 4.31Å; L45-L49 WeakPolarHBondContact O-CB 3.38Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.84Å |
| 46 | H | 94.6 | Very high | 89.7 | Confident | 110 Ų | 110 | 101.5 Ų | 101.5 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 179.3 | -173.6 | -97.6 | 0 | 0 | 0 | 111.7 | L42 Q43 E44 L49 Q50 | L42-H46 VanDerWaalsContact O-CB 3.31Å; L42-H46 WeakPolarHBondContact O-CB 3.33Å; L42-H46 PolarHBondContact O-N 2.98Å; Q43-H46 PolarHBondContact O-N 2.85Å; E44-H46 PolarHBondContact O-N 2.86Å; H46-L49 PolarHBondContact O-N 2.84Å; H46-Q50 PolarHBondContact CE1-NE2 3.44Å; H46-Q50 WeakPolarHBondContact O-CB 3.26Å; H46-Q50 WeakPolarHBondContact O-CG 3.3Å; H46-Q50 PolarHBondContact O-N 3.42Å |
| 47 | S | 95.2 | Very high | 89.4 | Confident | 74 Ų | 74 | 101.6 Ų | 101.6 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 173.8 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | Q43 E44 L45 Q50 L51 | Q43-S47 WeakPolarHBondContact O-CB 3.32Å; Q43-S47 PolarHBondContact O-N 2.8Å; E44-S47 PolarHBondContact O-N 2.88Å; L45-S47 VanDerWaalsContact C-N 3.35Å; L45-S47 PolarHBondContact O-N 3.1Å; S47-Q50 PolarHBondContact O-N 2.77Å; S47-L51 PolarHBondContact O-N 3.05Å |
| 48 | S | 94.7 | Very high | 88.8 | Confident | 70 Ų | 70 | 104.5 Ų | 104.5 | 49% | 0.49 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 112 | E44 L45 Q50 L51 M52 | E44-S48 WeakPolarHBondContact O-CB 3.49Å; E44-S48 PolarHBondContact O-N 2.7Å; L45-S48 PolarHBondContact O-N 3.31Å; S48-Q50 VanDerWaalsContact C-N 3.34Å; S48-Q50 PolarHBondContact O-N 2.97Å; S48-L51 PolarHBondContact O-N 3.12Å; S48-M52 WeakPolarHBondContact O-CB 3.34Å; S48-M52 PolarHBondContact O-N 2.98Å |
| 49 | L | 92.1 | Very high | 88 | Confident | 81 Ų | 81 | 104.5 Ų | 104.5 | 42% | 0.424 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 176.4 | -72.6 | 173.9 | 0 | 0 | 0 | 111.8 | L45 H46 M52 D53 | L45-L49 HydrophobicContact CD1-CD1 4.21Å; L45-L49 HydrophobicContact CD1-CG 4.13Å; L45-L49 HydrophobicContact CG-CD1 3.97Å; L45-L49 HydrophobicContact CG-CG 4.31Å; L45-L49 WeakPolarHBondContact O-CB 3.38Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.84Å; H46-L49 PolarHBondContact O-N 2.84Å; L49-M52 HydrophobicContact CD2-CE 3.8Å; L49-M52 PolarHBondContact O-N 2.82Å; L49-D53 WeakPolarHBondContact O-CB 3.3Å; L49-D53 PolarHBondContact O-N 2.58Å |
| 50 | Q | 92.9 | Very high | 86.7 | Confident | 96 Ų | 96 | 104.4 Ų | 104.4 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 174.6 | -77.2 | -171.1 | -21.2 | 0 | 0 | 112.5 | H46 S47 S48 K54 | H46-Q50 PolarHBondContact CE1-NE2 3.44Å; H46-Q50 WeakPolarHBondContact O-CB 3.26Å; H46-Q50 WeakPolarHBondContact O-CG 3.3Å; H46-Q50 PolarHBondContact O-N 3.42Å; S47-Q50 PolarHBondContact O-N 2.77Å; S48-Q50 VanDerWaalsContact C-N 3.34Å; S48-Q50 PolarHBondContact O-N 2.97Å; Q50-K54 VanDerWaalsContact O-CG 3.29Å; Q50-K54 WeakPolarHBondContact O-CG 3.47Å; Q50-K54 PolarHBondContact O-N 3.18Å |
| 51 | L | 92.2 | Very high | 85.1 | Confident | 106 Ų | 106 | 103.8 Ų | 103.8 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66 | -45.1 | 175.1 | -176.3 | 68 | 0 | 0 | 0 | 110.7 | S47 S48 D53 K54 L55 | S47-L51 PolarHBondContact O-N 3.05Å; S48-L51 PolarHBondContact O-N 3.12Å; L51-D53 VanDerWaalsContact C-N 3.33Å; L51-D53 PolarHBondContact O-N 3.13Å; L51-K54 WeakPolarHBondContact O-CB 3.2Å; L51-K54 PolarHBondContact O-N 3.29Å; L51-L55 HydrophobicContact CG-CD1 4.41Å; L51-L55 WeakPolarHBondContact O-CG 3.16Å; L51-L55 PolarHBondContact O-N 3.1Å |
| 52 | M | 89.4 | Confident | 83.3 | Confident | 100 Ų | 100 | 106.2 Ų | 106.2 | 49% | 0.493 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 176.6 | -174.4 | -164.1 | 69.2 | 0 | 0 | 111.5 | S48 L49 L55 Q56 | S48-M52 WeakPolarHBondContact O-CB 3.34Å; S48-M52 PolarHBondContact O-N 2.98Å; L49-M52 HydrophobicContact CD2-CE 3.8Å; L49-M52 PolarHBondContact O-N 2.82Å; M52-L55 PolarHBondContact O-N 3.36Å; M52-Q56 VanDerWaalsContact O-CB 3.31Å; M52-Q56 WeakPolarHBondContact O-CB 3.5Å; M52-Q56 PolarHBondContact O-N 2.79Å |
| 53 | D | 85.6 | Confident | 81.1 | Confident | 65 Ų | 65 | 104 Ų | 104 | 35% | 0.348 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -35.9 | 178.2 | 179.8 | 52.4 | 0 | 0 | 0 | 111.9 | L49 L51 R57 | L49-D53 WeakPolarHBondContact O-CB 3.3Å; L49-D53 PolarHBondContact O-N 2.58Å; L51-D53 VanDerWaalsContact C-N 3.33Å; L51-D53 PolarHBondContact O-N 3.13Å; D53-R57 WeakPolarHBondContact O-CB 3.03Å; D53-R57 WeakPolarHBondContact O-CG 3.49Å; D53-R57 PolarHBondContact O-N 2.74Å; D53-R57 IonicContact OD1-CZ 3.23Å; D53-R57 IonicContact OD1-NH1 3.04Å; D53-R57 PolarHBondContact OD1-NH1 3.29Å; D53-R57 VanDerWaalsContact OD1-NH1 3.15Å; D53-R57 IonicContact OD1-NH2 2.95Å; D53-R57 IonicContact OD2-CZ 3.85Å; D53-R57 IonicContact OD2-NH1 2.72Å; D53-R57 PolarHBondContact OD2-NH1 3.1Å; D53-R57 IonicContact OD2-NH2 3.21Å; D53-R57 PolarHBondContact OD2-NH2 3.15Å |
| 54 | K | 85.8 | Confident | 78.7 | Confident | 129 Ų | 129 | 104.4 Ų | 104.4 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.2 | -45.3 | 169.3 | -73.5 | 174.3 | -178.5 | -177.8 | 0 | 112.2 | Q50 L51 R57 Q58 | Q50-K54 VanDerWaalsContact O-CG 3.29Å; Q50-K54 WeakPolarHBondContact O-CG 3.47Å; Q50-K54 PolarHBondContact O-N 3.18Å; L51-K54 WeakPolarHBondContact O-CB 3.2Å; L51-K54 PolarHBondContact O-N 3.29Å; K54-R57 PolarHBondContact O-N 3.47Å; K54-Q58 WeakPolarHBondContact O-CB 3.46Å; K54-Q58 PolarHBondContact O-N 3.44Å |
| 55 | L | 82.7 | Confident | 76.3 | Confident | 86 Ų | 86 | 104.3 Ų | 104.3 | 45% | 0.45 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.6 | -72.7 | 175.7 | 0 | 0 | 0 | 111.3 | L51 M52 R57 Q58 I59 | L51-L55 HydrophobicContact CG-CD1 4.41Å; L51-L55 WeakPolarHBondContact O-CG 3.16Å; L51-L55 PolarHBondContact O-N 3.1Å; M52-L55 PolarHBondContact O-N 3.36Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 3.38Å; L55-Q58 PolarHBondContact O-N 2.91Å; L55-I59 WeakPolarHBondContact O-CB 3.49Å; L55-I59 WeakPolarHBondContact O-CD1 3.47Å; L55-I59 WeakPolarHBondContact O-CG1 3.49Å; L55-I59 PolarHBondContact O-N 2.85Å |
| 56 | Q | 75.6 | Confident | 74 | Confident | 117 Ų | 117 | 106.1 Ų | 106.1 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 178.2 | -173.6 | -179.2 | -32.4 | 0 | 0 | 110.9 | M52 L60 | M52-Q56 VanDerWaalsContact O-CB 3.31Å; M52-Q56 WeakPolarHBondContact O-CB 3.5Å; M52-Q56 PolarHBondContact O-N 2.79Å; Q56-L60 WeakPolarHBondContact O-CB 3.4Å; Q56-L60 PolarHBondContact O-N 2.82Å |
| 57 | R | 75.6 | Confident | 71.5 | Confident | 119 Ų | 119 | 108.6 Ų | 108.6 | 45% | 0.449 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 173.2 | -82.3 | -169.1 | -71.2 | -91.1 | -8.6 | 112.4 | D53 K54 L55 L60 E61 | D53-R57 WeakPolarHBondContact O-CB 3.03Å; D53-R57 WeakPolarHBondContact O-CG 3.49Å; D53-R57 PolarHBondContact O-N 2.74Å; D53-R57 IonicContact OD1-CZ 3.23Å; D53-R57 IonicContact OD1-NH1 3.04Å; D53-R57 PolarHBondContact OD1-NH1 3.29Å; D53-R57 VanDerWaalsContact OD1-NH1 3.15Å; D53-R57 IonicContact OD1-NH2 2.95Å; D53-R57 IonicContact OD2-CZ 3.85Å; D53-R57 IonicContact OD2-NH1 2.72Å; D53-R57 PolarHBondContact OD2-NH1 3.1Å; D53-R57 IonicContact OD2-NH2 3.21Å; D53-R57 PolarHBondContact OD2-NH2 3.15Å; K54-R57 PolarHBondContact O-N 3.47Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 3.38Å; R57-L60 CarbonylContact O-C 3.57Å; R57-L60 PolarHBondContact O-N 2.84Å; R57-E61 WeakPolarHBondContact O-CB 3.43Å; R57-E61 WeakPolarHBondContact O-CG 2.82Å; R57-E61 PolarHBondContact O-N 2.84Å |
| 58 | Q | 72.2 | Confident | 68.9 | Low | 113 Ų | 113 | 111.1 Ų | 111.1 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.6 | -42.1 | 179.6 | -170.5 | 177.2 | -16.3 | 0 | 0 | 111.8 | K54 L55 L60 E61 D62 | K54-Q58 WeakPolarHBondContact O-CB 3.46Å; K54-Q58 PolarHBondContact O-N 3.44Å; L55-Q58 PolarHBondContact O-N 2.91Å; Q58-L60 VanDerWaalsContact C-N 3.34Å; Q58-E61 PolarHBondContact O-N 2.76Å; Q58-D62 WeakPolarHBondContact O-CB 3.46Å; Q58-D62 PolarHBondContact O-N 3.09Å |
| 59 | I | 70.6 | Confident | 66.5 | Low | 110 Ų | 110 | 111 Ų | 111 | 56% | 0.564 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61 | -46 | 172.8 | -68 | 163.8 | 0 | 0 | 0 | 109.5 | L55 D62 T63 | L55-I59 WeakPolarHBondContact O-CB 3.49Å; L55-I59 WeakPolarHBondContact O-CD1 3.47Å; L55-I59 WeakPolarHBondContact O-CG1 3.49Å; L55-I59 PolarHBondContact O-N 2.85Å; I59-D62 PolarHBondContact O-N 2.82Å; I59-T63 PolarHBondContact O-N 3.26Å; I59-T63 PolarHBondContact O-OG1 2.78Å |
| 60 | L | 60.1 | Low | 64.4 | Low | 116 Ų | 116 | 113.1 Ų | 113.1 | 61% | 0.607 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.3 | -31.1 | -178.7 | -175.9 | 64.2 | 0 | 0 | 0 | 113.6 | Q56 R57 Q58 T63 | Q56-L60 WeakPolarHBondContact O-CB 3.4Å; Q56-L60 PolarHBondContact O-N 2.82Å; R57-L60 CarbonylContact O-C 3.57Å; R57-L60 PolarHBondContact O-N 2.84Å; Q58-L60 VanDerWaalsContact C-N 3.34Å; L60-T63 CarbonylContact O-C 3.54Å |
| 61 | E | 59.5 | Low | 62.3 | Low | 156 Ų | 156 | 110.1 Ų | 110.1 | 73% | 0.729 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -76.7 | -37.5 | 174.1 | -80.3 | -179.6 | 149 | 0 | 0 | 111.7 | R57 Q58 T63 | R57-E61 WeakPolarHBondContact O-CB 3.43Å; R57-E61 WeakPolarHBondContact O-CG 2.82Å; R57-E61 PolarHBondContact O-N 2.84Å; Q58-E61 PolarHBondContact O-N 2.76Å; E61-T63 VanDerWaalsContact C-N 3.29Å |
| 62 | D | 54.5 | Low | 60.7 | Low | 134 Ų | 134 | 109.2 Ų | 109.2 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -76.9 | -17 | 175.5 | -77.2 | -19.4 | 0 | 0 | 0 | 112.5 | Q58 I59 | Q58-D62 WeakPolarHBondContact O-CB 3.46Å; Q58-D62 PolarHBondContact O-N 3.09Å; I59-D62 PolarHBondContact O-N 2.82Å |
| 63 | T | 47.2 | Very low | 59.5 | Low | 50 Ų | 50 | 109.5 Ų | 109.5 | 31% | 0.307 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -102 | 86.2 | 166.3 | 33.5 | 0 | 0 | 0 | 0 | 110.8 | I59 L60 E61 F66 | I59-T63 PolarHBondContact O-N 3.26Å; I59-T63 PolarHBondContact O-OG1 2.78Å; L60-T63 CarbonylContact O-C 3.54Å; E61-T63 VanDerWaalsContact C-N 3.29Å; T63-F66 HydrophobicContact CG2-CB 3.82Å; T63-F66 HydrophobicContact CG2-CD2 4.04Å; T63-F66 HydrophobicContact CG2-CG 4.3Å |
| 64 | E | 43.9 | Very low | 59.1 | Low | 149 Ų | 149 | 110.7 Ų | 110.7 | 70% | 0.696 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -33.3 | 133 | 144 | -77.3 | -64.2 | 139.7 | 0 | 0 | 108.8 | F66 | E64-F66 WeakPolarHBondContact O-CD2 3.32Å; E64-F66 PolarHBondContact O-N 3.32Å |
| 65 | P | 43.4 | Very low | 59.2 | Low | 119 Ų | 119 | 105.3 Ų | 105.3 | 77% | 0.773 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -49 | 76.6 | -148.2 | 22.1 | -35 | 0 | 0 | 0 | 114.5 | R67 | P65-R67 PolarHBondContact O-N 2.86Š|
| 66 | F | 46.7 | Very low | 59.7 | Low | 128 Ų | 128 | 104.9 Ų | 104.9 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | trans | -83.6 | 79.7 | 172.9 | -88.9 | -78.4 | 0 | 0 | 0 | 105 | T63 E64 S68 | T63-F66 HydrophobicContact CG2-CB 3.82Å; T63-F66 HydrophobicContact CG2-CD2 4.04Å; T63-F66 HydrophobicContact CG2-CG 4.3Å; E64-F66 WeakPolarHBondContact O-CD2 3.32Å; E64-F66 PolarHBondContact O-N 3.32Å; F66-S68 PolarHBondContact O-N 3.48Å | ||
| 67 | R | 41.6 | Very low | 60.5 | Low | 163 Ų | 163 | 105.3 Ų | 105.3 | 62% | 0.615 | 55% | 0.553 | S | S | * | * | trans | -55.4 | 86 | 159.5 | -166.4 | -173.5 | -166.6 | -177.5 | 3.9 | 106.4 | P65 S69 Q73 | P65-R67 PolarHBondContact O-N 2.86Å; R67-S69 PolarHBondContact O-N 3.37Å; R67-Q73 VanDerWaalsContact NH1-CD 3.33Å; R67-Q73 VanDerWaalsContact NH1-NE2 3.2Å | ||
| 68 | S | 41.5 | Very low | 61.4 | Low | 127 Ų | 127 | 106.6 Ų | 106.6 | 89% | 0.888 | 56% | 0.564 | S | S | * | * | trans | -69.6 | 64.4 | 163 | 178 | 0 | 0 | 0 | 0 | 108 | F66 | F66-S68 PolarHBondContact O-N 3.48Š| ||
| 69 | S | 43 | Very low | 62.3 | Low | 67 Ų | 67 | 104.1 Ų | 104.1 | 47% | 0.469 | 55% | 0.554 | S | S | . | * | trans | -124.7 | 118 | 161.1 | -177.8 | 0 | 0 | 0 | 0 | 102.4 | R67 A71 | R67-S69 PolarHBondContact O-N 3.37Å; S69-A71 PolarHBondContact O-N 2.69Å | ||
| 70 | V | 47.7 | Very low | 63 | Low | 125 Ų | 125 | 102.2 Ų | 102.2 | 76% | 0.758 | 55% | 0.545 | S | S | * | . | trans | -65.2 | 70.3 | 160.3 | -177.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 71 | A | 49 | Very low | 63.6 | Low | 34 Ų | 34 | 103.8 Ų | 103.8 | 28% | 0.281 | 55% | 0.546 | S | S | . | . | trans | -89.7 | 115.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 103.8 | S69 Q73 | S69-A71 PolarHBondContact O-N 2.69Å; A71-Q73 HydrophobicContact CB-CG 4.29Å; A71-Q73 PolarHBondContact O-N 3.02Å | ||
| 72 | L | 58.8 | Low | 63.7 | Low | 87 Ų | 87 | 103.5 Ų | 103.5 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | trans | -60.7 | 88.7 | 163.9 | -64.8 | 174.1 | 0 | 0 | 0 | 106.1 | P74 E132 | L72-P74 WeakPolarHBondContact O-CD 3.43Å; L72-E132 HydrophobicContact CD2-CB 3.82Å; L72-E132 HydrophobicContact CD2-CG 3.6Å | ||
| 73 | Q | 65.1 | Low | 64.1 | Low | 105 Ų | 105 | 99.7 Ų | 99.7 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 120.4 | 178.5 | -71.7 | -75.1 | -85.1 | 0 | 0 | 106.1 | R67 A71 V75 F133 | R67-Q73 VanDerWaalsContact NH1-CD 3.33Å; R67-Q73 VanDerWaalsContact NH1-NE2 3.2Å; A71-Q73 HydrophobicContact CB-CG 4.29Å; A71-Q73 PolarHBondContact O-N 3.02Å; Q73-V75 PolarHBondContact O-N 3.16Å; Q73-F133 WeakPolarHBondContact O-CB 3.31Å |
| 74 | P | 76.3 | Confident | 65.1 | Low | 91 Ų | 91 | 102.9 Ų | 102.9 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 133.1 | 172 | 23.6 | -29 | 0 | 0 | 0 | 108.7 | L72 Q135 | L72-P74 WeakPolarHBondContact O-CD 3.43Å; P74-Q135 HydrophobicContact CB-CG 4.26Å |
| 75 | V | 88.8 | Confident | 66.6 | Low | 15 Ų | 15 | 100.6 Ų | 100.6 | 9% | 0.091 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 147.3 | 176.9 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | Q73 D91 F133 Q135 | Q73-V75 PolarHBondContact O-N 3.16Å; V75-D91 HydrophobicContact CG1-CB 4.16Å; V75-D91 WeakPolarHBondContact CG1-O 3.27Å; V75-F133 HydrophobicContact CB-CD2 4.3Å; V75-F133 HydrophobicContact CB-CG 4.45Å; V75-F133 HydrophobicContact CG2-CB 3.72Å; V75-F133 HydrophobicContact CG2-CD1 3.55Å; V75-F133 HydrophobicContact CG2-CD2 3.64Å; V75-F133 HydrophobicContact CG2-CE1 4Å; V75-F133 HydrophobicContact CG2-CE2 4.09Å; V75-F133 HydrophobicContact CG2-CG 3.35Å; V75-F133 HydrophobicContact CG2-CZ 4.26Å; V75-Q135 PolarHBondContact O-NE2 3.33Å; V75-Q135 PolarHBondContact O-OE1 3.41Å |
| 76 | S | 92.5 | Very high | 68.7 | Low | 77 Ų | 77 | 95.4 Ų | 95.4 | 54% | 0.538 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 143.7 | 176.2 | 81.4 | 0 | 0 | 0 | 0 | 110 | L90 D91 | S76-L90 WeakPolarHBondContact O-CA 3.24Å; S76-D91 PolarHBondContact O-N 2.73Å; S76-D91 WeakPolarHBondContact OG-CB 3.38Å |
| 77 | Y | 93.1 | Very high | 70.8 | Confident | 127 Ų | 127 | 89.8 Ų | 89.8 | 50% | 0.498 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 153.1 | -179.3 | 69.3 | -88.4 | 0 | 0 | 0 | 111.5 | L79 L88 T89 F137 | Y77-L79 HydrophobicContact CD2-CB 4.38Å; Y77-L79 HydrophobicContact CE2-CB 4.44Å; Y77-L88 HydrophobicContact CD2-CD1 4.16Å; Y77-T89 CarbonylContact C-O 3.59Å; Y77-T89 WeakPolarHBondContact CA-O 3.36Å; Y77-F137 HydrophobicContact CD1-CE1 4.02Å; Y77-F137 HydrophobicContact CD1-CZ 4.31Å; Y77-F137 AromaticContact CD2-CE1 3.79Å; Y77-F137 HydrophobicContact CD2-CE1 3.79Å; Y77-F137 HydrophobicContact CE1-CE1 4.3Å; Y77-F137 HydrophobicContact CE2-CE1 4.09Å; Y77-F137 AromaticContact CG-CE1 3.76Å; Y77-F137 HydrophobicContact CG-CE1 3.76Å; Y77-F137 HydrophobicContact CG-CZ 4.15Å |
| 78 | Q | 93.5 | Very high | 73.2 | Confident | 146 Ų | 146 | 82 Ų | 82 | 68% | 0.682 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130 | 168.6 | -64.3 | -173.7 | 45 | 0 | 0 | 108.2 | T89 | Q78-T89 PolarHBondContact N-O 3.23Å; Q78-T89 PolarHBondContact O-N 2.73Å |
| 79 | L | 90.9 | Very high | 75.8 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 31% | 0.314 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 111.2 | -179.5 | 179.5 | 60 | 0 | 0 | 0 | 108 | Y77 K81 F86 G87 L88 | Y77-L79 HydrophobicContact CD2-CB 4.38Å; Y77-L79 HydrophobicContact CE2-CB 4.44Å; L79-K81 HydrophobicContact CD2-CD 4.41Å; L79-K81 HydrophobicContact CD2-CG 4.4Å; L79-K81 HydrophobicContact CG-CG 4.01Å; L79-F86 HydrophobicContact CD1-CD2 4Å; L79-F86 HydrophobicContact CD1-CE2 3.42Å; L79-F86 VanDerWaalsContact CD1-CE2 3.42Å; L79-F86 HydrophobicContact CD1-CZ 3.71Å; L79-G87 CarbonylContact C-O 3.57Å; L79-G87 WeakPolarHBondContact CA-O 3.07Å; L79-L88 HydrophobicContact CD1-CB 4.45Å; L79-L88 HydrophobicContact CD1-CD1 4.37Å |
| 80 | D | 86.8 | Confident | 78.2 | Confident | 70 Ų | 70 | 74.5 Ų | 74.5 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 117.7 | 173.9 | -173.2 | -4 | 0 | 0 | 0 | 108.5 | E82 H85 G87 | D80-E82 WeakPolarHBondContact OD1-CB 3.22Å; D80-E82 PolarHBondContact OD1-N 2.93Å; D80-H85 IonicContact OD2-CE1 3.84Å; D80-G87 PolarHBondContact N-O 2.84Å; D80-G87 PolarHBondContact O-N 3.06Å; D80-G87 VanDerWaalsContact O-N 3.1Å |
| 81 | K | 72.3 | Confident | 80.5 | Confident | 149 Ų | 149 | 71.7 Ų | 71.7 | 65% | 0.648 | 38% | 0.379 | S | S | * | . | trans | -115.7 | 7.3 | 176.6 | -61.8 | -171.8 | -179.9 | -177.8 | 0 | 111.4 | L79 G83 | L79-K81 HydrophobicContact CD2-CD 4.41Å; L79-K81 HydrophobicContact CD2-CG 4.4Å; L79-K81 HydrophobicContact CG-CG 4.01Å; K81-G83 PolarHBondContact O-N 2.94Å; K81-G83 VanDerWaalsContact O-N 3.1Å | ||
| 82 | E | 60.9 | Low | 82.6 | Confident | 151 Ų | 151 | 70.1 Ų | 70.1 | 71% | 0.706 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -80.1 | 93.8 | -175.7 | -86.2 | 66.4 | -155.5 | 0 | 0 | 110.1 | D80 | D80-E82 WeakPolarHBondContact OD1-CB 3.22Å; D80-E82 PolarHBondContact OD1-N 2.93Å |
| 83 | G | 63.1 | Low | 84 | Confident | 53 Ų | 53 | 72.5 Ų | 72.5 | 55% | 0.546 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 121 | -149.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | K81 H85 | K81-G83 PolarHBondContact O-N 2.94Å; K81-G83 VanDerWaalsContact O-N 3.1Å; G83-H85 VanDerWaalsContact C-N 3.31Å |
| 84 | E | 68.2 | Low | 85.1 | Confident | 117 Ų | 117 | 68.9 Ų | 68.9 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -87.4 | 10.4 | -178.7 | -65.1 | -63 | 126.1 | 0 | 0 | 113.2 | K164 | E84-K164 WeakPolarHBondContact O-CB 3.11Å; E84-K164 PolarHBondContact O-N 3.41Å |
| 85 | H | 75.3 | Confident | 85.8 | Confident | 101 Ų | 101 | 65.2 Ų | 65.2 | 47% | 0.468 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145 | -179 | 61.2 | 58.9 | 0 | 0 | 0 | 112.1 | D80 G83 | D80-H85 IonicContact OD2-CE1 3.84Å; G83-H85 VanDerWaalsContact C-N 3.31Å |
| 86 | F | 86.8 | Confident | 85.9 | Confident | 10 Ų | 10 | 66.3 Ų | 66.3 | 4% | 0.044 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.3 | 169 | 174.9 | -89.9 | 0 | 0 | 0 | 109 | L79 L88 L109 L139 P140 Q161 A162 | L79-F86 HydrophobicContact CD1-CD2 4Å; L79-F86 HydrophobicContact CD1-CE2 3.42Å; L79-F86 VanDerWaalsContact CD1-CE2 3.42Å; L79-F86 HydrophobicContact CD1-CZ 3.71Å; F86-L88 HydrophobicContact CE1-CB 3.67Å; F86-L88 HydrophobicContact CE1-CD2 4.44Å; F86-L88 HydrophobicContact CZ-CB 4.04Å; F86-L88 HydrophobicContact CZ-CD2 4.44Å; F86-L109 HydrophobicContact CE1-CD2 4.37Å; F86-L139 HydrophobicContact CD1-CD2 3.97Å; F86-L139 HydrophobicContact CE1-CD2 3.76Å; F86-L139 HydrophobicContact CE2-CD2 4.49Å; F86-L139 HydrophobicContact CG-CD2 4.45Å; F86-L139 HydrophobicContact CZ-CD2 4.04Å; F86-P140 HydrophobicContact CB-CG 3.86Å; F86-P140 HydrophobicContact CD2-CG 3.83Å; F86-P140 HydrophobicContact CG-CG 4.2Å; F86-Q161 CarbonylContact O-C 3.55Å; F86-Q161 WeakPolarHBondContact O-CA 3.36Å; F86-A162 HydrophobicContact CB-CB 4.23Å; F86-A162 HydrophobicContact CD1-CB 4.35Å; F86-A162 PolarHBondContact N-O 3.04Å; F86-A162 PolarHBondContact O-N 3.1Å |
| 87 | G | 91.1 | Very high | 85.8 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 10% | 0.103 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L79 D80 | L79-G87 CarbonylContact C-O 3.57Å; L79-G87 WeakPolarHBondContact CA-O 3.07Å; D80-G87 PolarHBondContact N-O 2.84Å; D80-G87 PolarHBondContact O-N 3.06Å; D80-G87 VanDerWaalsContact O-N 3.1Å |
| 88 | L | 93.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 126.1 | 175.1 | 175.8 | 66.6 | 0 | 0 | 0 | 109.5 | Y77 L79 F86 L90 L109 F137 H159 I160 | Y77-L88 HydrophobicContact CD2-CD1 4.16Å; L79-L88 HydrophobicContact CD1-CB 4.45Å; L79-L88 HydrophobicContact CD1-CD1 4.37Å; F86-L88 HydrophobicContact CE1-CB 3.67Å; F86-L88 HydrophobicContact CE1-CD2 4.44Å; F86-L88 HydrophobicContact CZ-CB 4.04Å; F86-L88 HydrophobicContact CZ-CD2 4.44Å; L88-L90 HydrophobicContact CD1-CD1 4.43Å; L88-L90 HydrophobicContact CD2-CD1 3.8Å; L88-L90 HydrophobicContact CG-CD1 3.74Å; L88-L90 HydrophobicContact CG-CG 4.4Å; L88-L109 HydrophobicContact CD2-CD2 3.86Å; L88-F137 HydrophobicContact CD1-CD1 3.91Å; L88-F137 HydrophobicContact CD1-CE1 3.79Å; L88-F137 HydrophobicContact CD1-CG 4.36Å; L88-F137 HydrophobicContact CD1-CZ 4.13Å; L88-F137 HydrophobicContact CD2-CB 4.17Å; L88-F137 HydrophobicContact CD2-CD1 4.02Å; L88-F137 HydrophobicContact CD2-CD2 3.46Å; L88-F137 VanDerWaalsContact CD2-CD2 3.46Å; L88-F137 HydrophobicContact CD2-CE1 4.28Å; L88-F137 HydrophobicContact CD2-CE2 3.77Å; L88-F137 HydrophobicContact CD2-CG 3.6Å; L88-F137 HydrophobicContact CD2-CZ 4.16Å; L88-H159 CarbonylContact O-C 3.59Å; L88-H159 WeakPolarHBondContact O-CA 3.4Å; L88-I160 HydrophobicContact CB-CB 4.34Å; L88-I160 HydrophobicContact CD2-CD1 4.31Å; L88-I160 PolarHBondContact N-O 3.25Å; L88-I160 PolarHBondContact O-N 3.01Å |
| 89 | T | 95 | Very high | 85.7 | Confident | 36 Ų | 36 | 63.2 Ų | 63.2 | 22% | 0.221 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 126.1 | 174.5 | -59.3 | 0 | 0 | 0 | 0 | 109.3 | Y77 Q78 K157 L158 H159 | Y77-T89 CarbonylContact C-O 3.59Å; Y77-T89 WeakPolarHBondContact CA-O 3.36Å; Q78-T89 PolarHBondContact N-O 3.23Å; Q78-T89 PolarHBondContact O-N 2.73Å; T89-K157 HydrophobicContact CG2-CB 4.1Å; T89-K157 HydrophobicContact CG2-CD 4.12Å; T89-L158 CarbonylContact C-O 3.6Å; T89-L158 WeakPolarHBondContact CA-O 3.3Å; T89-H159 VanDerWaalsContact CG2-CE1 3.5Å; T89-H159 WeakPolarHBondContact CG2-CE1 3.5Å; T89-H159 WeakPolarHBondContact CG2-ND1 3.42Å; T89-H159 PolarHBondContact OG1-ND1 2.74Å |
| 90 | L | 94.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139 | 175.4 | -59.9 | 100.6 | 0 | 0 | 0 | 111 | S76 L88 T92 V111 F137 K157 L158 I160 | S76-L90 WeakPolarHBondContact O-CA 3.24Å; L88-L90 HydrophobicContact CD1-CD1 4.43Å; L88-L90 HydrophobicContact CD2-CD1 3.8Å; L88-L90 HydrophobicContact CG-CD1 3.74Å; L88-L90 HydrophobicContact CG-CG 4.4Å; L90-T92 HydrophobicContact CB-CG2 4.2Å; L90-T92 PolarHBondContact O-N 3.21Å; L90-T92 VanDerWaalsContact O-N 3.13Å; L90-V111 HydrophobicContact CD1-CG1 4.43Å; L90-V111 HydrophobicContact CD1-CG2 4.28Å; L90-V111 HydrophobicContact CD2-CB 4.36Å; L90-V111 HydrophobicContact CD2-CG1 4.23Å; L90-F137 HydrophobicContact CD2-CE2 3.79Å; L90-F137 HydrophobicContact CD2-CZ 3.78Å; L90-F137 HydrophobicContact CG-CZ 4.44Å; L90-K157 CarbonylContact O-C 3.59Å; L90-K157 VanDerWaalsContact O-CA 3.3Å; L90-K157 WeakPolarHBondContact O-CA 3.35Å; L90-L158 HydrophobicContact CB-CB 4.45Å; L90-L158 HydrophobicContact CD1-CD2 4.32Å; L90-L158 PolarHBondContact N-O 2.92Å; L90-L158 PolarHBondContact O-N 3.32Å; L90-I160 HydrophobicContact CD1-CD1 3.97Å |
| 91 | D | 94.7 | Very high | 86.1 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 35% | 0.353 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 79.1 | 176.8 | -173.5 | 2.2 | 0 | 0 | 0 | 112.8 | V75 S76 Q93 | V75-D91 HydrophobicContact CG1-CB 4.16Å; V75-D91 WeakPolarHBondContact CG1-O 3.27Å; S76-D91 PolarHBondContact O-N 2.73Å; S76-D91 WeakPolarHBondContact OG-CB 3.38Å; D91-Q93 PolarHBondContact O-N 2.95Å; D91-Q93 VanDerWaalsContact O-N 3.15Å; D91-Q93 PolarHBondContact OD1-N 2.82Å |
| 92 | T | 92.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -85.7 | 32.1 | -177.5 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | L90 G94 F95 L100 F133 L152 G156 L158 | L90-T92 HydrophobicContact CB-CG2 4.2Å; L90-T92 PolarHBondContact O-N 3.21Å; L90-T92 VanDerWaalsContact O-N 3.13Å; T92-G94 PolarHBondContact O-N 2.87Å; T92-F95 WeakPolarHBondContact O-CD2 3.26Å; T92-F95 PolarHBondContact O-N 2.86Å; T92-F95 VanDerWaalsContact O-N 3.1Å; T92-L100 HydrophobicContact CG2-CD1 4.35Å; T92-L100 HydrophobicContact CG2-CD2 3.93Å; T92-F133 HydrophobicContact CG2-CE1 4.07Å; T92-F133 HydrophobicContact CG2-CZ 3.69Å; T92-L152 VanDerWaalsContact OG1-CD1 3.3Å; T92-L152 WeakPolarHBondContact OG1-CD1 3.31Å; T92-G156 CarbonylContact C-O 3.57Å; T92-G156 VanDerWaalsContact CA-O 3.26Å; T92-G156 WeakPolarHBondContact CA-O 3.38Å; T92-G156 PolarHBondContact N-O 3.47Å; T92-G156 PolarHBondContact OG1-O 2.92Å; T92-L158 HydrophobicContact CG2-CB 4.02Å | ||
| 93 | Q | 89.7 | Confident | 88.6 | Confident | 137 Ų | 137 | 55.7 Ų | 55.7 | 64% | 0.64 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 132 | 179.5 | -172 | 174.7 | 70.8 | 0 | 0 | 111.1 | D91 G156 | D91-Q93 PolarHBondContact O-N 2.95Å; D91-Q93 VanDerWaalsContact O-N 3.15Å; D91-Q93 PolarHBondContact OD1-N 2.82Å; Q93-G156 PolarHBondContact N-O 3.2Å |
| 94 | G | 86.9 | Confident | 89.8 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -7.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | T92 K117 | T92-G94 PolarHBondContact O-N 2.87Å; G94-K117 WeakPolarHBondContact O-CE 3.49Å; G94-K117 PolarHBondContact O-NZ 2.85Å |
| 95 | F | 91.2 | Very high | 90.8 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | trans | -98.2 | 143.7 | 170.1 | -64.3 | -89.4 | 0 | 0 | 0 | 111 | T92 D99 L100 G113 T115 Q131 F133 | T92-F95 WeakPolarHBondContact O-CD2 3.26Å; T92-F95 PolarHBondContact O-N 2.86Å; T92-F95 VanDerWaalsContact O-N 3.1Å; F95-D99 HydrophobicContact CB-CB 4.35Å; F95-D99 HydrophobicContact CD1-CB 4.08Å; F95-L100 HydrophobicContact CB-CD1 4.38Å; F95-L100 HydrophobicContact CB-CD2 3.83Å; F95-L100 HydrophobicContact CB-CG 4.01Å; F95-L100 HydrophobicContact CD1-CD2 4.4Å; F95-L100 HydrophobicContact CG-CD2 4.07Å; F95-G113 VanDerWaalsContact CE1-C 3.47Å; F95-T115 HydrophobicContact CD1-CG2 3.69Å; F95-T115 HydrophobicContact CE1-CG2 3.62Å; F95-T115 HydrophobicContact CG-CG2 4.39Å; F95-T115 HydrophobicContact CZ-CG2 4.28Å; F95-Q131 HydrophobicContact CE1-CB 4.4Å; F95-Q131 HydrophobicContact CE2-CG 4.11Å; F95-Q131 VanDerWaalsContact CE2-NE2 3.26Å; F95-Q131 HydrophobicContact CZ-CB 3.95Å; F95-Q131 HydrophobicContact CZ-CG 3.61Å; F95-F133 HydrophobicContact CD1-CE1 4.45Å; F95-F133 HydrophobicContact CD2-CD1 4.38Å; F95-F133 AromaticContact CD2-CE1 4Å; F95-F133 HydrophobicContact CD2-CE1 4Å; F95-F133 HydrophobicContact CE1-CD1 4.12Å; F95-F133 HydrophobicContact CE1-CE1 4.23Å; F95-F133 AromaticContact CE2-CD1 3.65Å; F95-F133 HydrophobicContact CE2-CD1 3.65Å; F95-F133 AromaticContact CE2-CE1 3.73Å; F95-F133 HydrophobicContact CE2-CE1 3.73Å; F95-F133 HydrophobicContact CG-CE1 4.35Å; F95-F133 AromaticContact CZ-CD1 3.5Å; F95-F133 HydrophobicContact CZ-CD1 3.5Å; F95-F133 AromaticContact CZ-CE1 3.86Å; F95-F133 HydrophobicContact CZ-CE1 3.86Å | ||
| 96 | S | 90.5 | Very high | 91.3 | Very high | 39 Ų | 39 | 52 Ų | 52 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | trans | -87.4 | 163.6 | 168 | 77.4 | 0 | 0 | 0 | 0 | 110.7 | E98 D99 L100 | S96-E98 WeakPolarHBondContact CB-OE2 3.36Å; S96-E98 PolarHBondContact O-N 2.57Å; S96-E98 PolarHBondContact OG-OE2 2.74Å; S96-D99 PolarHBondContact N-OD2 2.94Å; S96-D99 WeakPolarHBondContact O-CB 3.43Å; S96-D99 PolarHBondContact O-N 2.95Å; S96-D99 VanDerWaalsContact O-N 3.1Å; S96-D99 PolarHBondContact OG-N 2.72Å; S96-D99 PolarHBondContact OG-OD2 2.91Å; S96-L100 WeakPolarHBondContact O-CG 3.45Å | ||
| 97 | P | 90.6 | Very high | 91.3 | Very high | 81 Ų | 81 | 59.4 Ų | 59.4 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -53.6 | -34.5 | 174.7 | -23.8 | 31.5 | 0 | 0 | 0 | 113.5 | D99 L100 L152 | P97-D99 VanDerWaalsContact C-N 3.33Å; P97-L100 PolarHBondContact O-N 3.19Å; P97-L152 HydrophobicContact CB-CD2 4.4Å; P97-L152 HydrophobicContact CG-CD2 3.72Å |
| 98 | E | 92.4 | Very high | 91.3 | Very high | 152 Ų | 152 | 63.4 Ų | 63.4 | 71% | 0.71 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -73.7 | -26.7 | -178.2 | -50.6 | 76.4 | -159.9 | 0 | 0 | 112.5 | S96 L100 | S96-E98 WeakPolarHBondContact CB-OE2 3.36Å; S96-E98 PolarHBondContact O-N 2.57Å; S96-E98 PolarHBondContact OG-OE2 2.74Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 2.9Å |
| 99 | D | 91.7 | Very high | 91.2 | Very high | 51 Ų | 51 | 63.4 Ų | 63.4 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -77.6 | -12.6 | 177.4 | -67.6 | -27.1 | 0 | 0 | 0 | 112.6 | F95 S96 P97 G113 K114 T115 | F95-D99 HydrophobicContact CB-CB 4.35Å; F95-D99 HydrophobicContact CD1-CB 4.08Å; S96-D99 PolarHBondContact N-OD2 2.94Å; S96-D99 WeakPolarHBondContact O-CB 3.43Å; S96-D99 PolarHBondContact O-N 2.95Å; S96-D99 VanDerWaalsContact O-N 3.1Å; S96-D99 PolarHBondContact OG-N 2.72Å; S96-D99 PolarHBondContact OG-OD2 2.91Å; P97-D99 VanDerWaalsContact C-N 3.33Å; D99-G113 VanDerWaalsContact O-CA 3.24Å; D99-G113 WeakPolarHBondContact O-CA 3.45Å; D99-K114 WeakPolarHBondContact CB-O 3.49Å; D99-K114 PolarHBondContact O-N 2.69Å; D99-T115 WeakPolarHBondContact OD2-CB 3.4Å; D99-T115 PolarHBondContact OD2-OG1 3.01Å |
| 100 | L | 93.8 | Very high | 91.1 | Very high | 27 Ų | 27 | 66.3 Ų | 66.3 | 14% | 0.141 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 146.6 | -174 | -64.5 | 172.7 | 0 | 0 | 0 | 112.3 | T92 F95 S96 P97 E98 S112 F133 L152 | T92-L100 HydrophobicContact CG2-CD1 4.35Å; T92-L100 HydrophobicContact CG2-CD2 3.93Å; F95-L100 HydrophobicContact CB-CD1 4.38Å; F95-L100 HydrophobicContact CB-CD2 3.83Å; F95-L100 HydrophobicContact CB-CG 4.01Å; F95-L100 HydrophobicContact CD1-CD2 4.4Å; F95-L100 HydrophobicContact CG-CD2 4.07Å; S96-L100 WeakPolarHBondContact O-CG 3.45Å; P97-L100 PolarHBondContact O-N 3.19Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 2.9Å; L100-S112 CarbonylContact C-O 3.57Å; L100-S112 WeakPolarHBondContact CA-O 3.35Å; L100-F133 HydrophobicContact CD2-CE1 3.76Å; L100-F133 HydrophobicContact CD2-CZ 3.77Å; L100-L152 HydrophobicContact CD1-CD1 4.04Å; L100-L152 HydrophobicContact CD1-CD2 4.32Å |
| 101 | S | 93.9 | Very high | 91.1 | Very high | 33 Ų | 33 | 66.3 Ų | 66.3 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 123.3 | 175 | 163.1 | 0 | 0 | 0 | 0 | 110.3 | R103 V111 S112 | S101-R103 PolarHBondContact OG-NE 3.46Å; S101-R103 VanDerWaalsContact OG-NE 3.16Å; S101-V111 WeakPolarHBondContact O-CA 3.41Å; S101-S112 PolarHBondContact N-O 3.43Å; S101-S112 PolarHBondContact O-N 2.96Å |
| 102 | V | 93 | Very high | 91 | Very high | 46 Ų | 46 | 64.4 Ų | 64.4 | 28% | 0.279 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.3 | 172.5 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | L109 V111 L158 I160 | V102-L109 HydrophobicContact CG1-CD1 3.61Å; V102-L109 HydrophobicContact CG1-CG 4.33Å; V102-V111 HydrophobicContact CG2-CG1 4.31Å; V102-V111 HydrophobicContact CG2-CG2 4.46Å; V102-L158 HydrophobicContact CG2-CD2 3.87Å; V102-I160 HydrophobicContact CG1-CD1 3.99Å; V102-I160 HydrophobicContact CG2-CD1 4.02Å |
| 103 | R | 91.3 | Very high | 91 | Very high | 167 Ų | 167 | 64.6 Ų | 64.6 | 63% | 0.63 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132.9 | -179.5 | -60.4 | -176.4 | -173.1 | -164.5 | -2.6 | 110.6 | S101 R110 | S101-R103 PolarHBondContact OG-NE 3.46Å; S101-R103 VanDerWaalsContact OG-NE 3.16Å; R103-R110 PolarHBondContact N-O 2.76Å; R103-R110 PolarHBondContact O-N 2.78Å |
| 104 | Q | 89.3 | Confident | 91.1 | Very high | 41 Ų | 41 | 63.7 Ų | 63.7 | 19% | 0.192 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 128.1 | 167.8 | -176.6 | 169.5 | -7.5 | 0 | 0 | 110 | G106 K108 L139 H145 | Q104-G106 WeakPolarHBondContact CG-O 3.38Å; Q104-G106 PolarHBondContact NE2-O 3.23Å; Q104-K108 WeakPolarHBondContact CA-O 3.47Å; Q104-L139 HydrophobicContact CG-CD1 3.88Å; Q104-H145 PolarHBondContact NE2-CD2 2.86Å; Q104-H145 PolarHBondContact NE2-NE2 2.57Å; Q104-H145 PolarHBondContact OE1-CD2 2.79Å |
| 105 | V | 88.4 | Confident | 91.3 | Very high | 100 Ų | 100 | 62.8 Ų | 62.8 | 61% | 0.606 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 96.1 | 175.2 | -175.5 | 0 | 0 | 0 | 0 | 107.7 | R107 K108 | V105-R107 PolarHBondContact O-N 2.91Å; V105-K108 PolarHBondContact N-O 3.24Å; V105-K108 PolarHBondContact O-N 2.87Å; V105-K108 VanDerWaalsContact O-N 3.09Å |
| 106 | G | 86.8 | Confident | 91.3 | Very high | 51 Ų | 51 | 68.8 Ų | 68.8 | 53% | 0.526 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | -119.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q104 | Q104-G106 WeakPolarHBondContact CG-O 3.38Å; Q104-G106 PolarHBondContact NE2-O 3.23Å |
| 107 | R | 86.4 | Confident | 91.2 | Very high | 167 Ų | 167 | 71.4 Ų | 71.4 | 63% | 0.63 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 6.7 | 176.8 | -63.2 | -166.9 | -62.8 | 172.4 | 2 | 114.1 | V105 L139 E141 | V105-R107 PolarHBondContact O-N 2.91Å; R107-L139 WeakPolarHBondContact O-CB 3.17Å; R107-L139 PolarHBondContact O-N 2.73Å; R107-E141 IonicContact NH1-OE1 2.78Å |
| 108 | K | 90.2 | Very high | 91.1 | Very high | 93 Ų | 93 | 73.1 Ų | 73.1 | 40% | 0.404 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133.3 | -178.4 | -69.1 | -173.3 | 161.7 | -156 | 0 | 111.3 | Q104 V105 E136 F137 | Q104-K108 WeakPolarHBondContact CA-O 3.47Å; V105-K108 PolarHBondContact N-O 3.24Å; V105-K108 PolarHBondContact O-N 2.87Å; V105-K108 VanDerWaalsContact O-N 3.09Å; K108-E136 IonicContact NZ-OE2 2.66Å; K108-E136 PolarHBondContact NZ-OE2 2.79Å; K108-F137 CarbonylContact C-O 3.51Å; K108-F137 WeakPolarHBondContact CA-O 3.37Å |
| 109 | L | 91.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 114.9 | 169.5 | -174 | 72 | 0 | 0 | 0 | 108.9 | F86 L88 V102 V111 E136 F137 L139 I160 | F86-L109 HydrophobicContact CE1-CD2 4.37Å; L88-L109 HydrophobicContact CD2-CD2 3.86Å; V102-L109 HydrophobicContact CG1-CD1 3.61Å; V102-L109 HydrophobicContact CG1-CG 4.33Å; L109-V111 HydrophobicContact CD2-CG2 4.48Å; L109-V111 HydrophobicContact CG-CG2 4.36Å; L109-E136 CarbonylContact O-C 3.53Å; L109-E136 WeakPolarHBondContact O-CA 3.5Å; L109-F137 HydrophobicContact CB-CB 4.46Å; L109-F137 PolarHBondContact N-O 3.27Å; L109-F137 PolarHBondContact O-N 3.38Å; L109-L139 HydrophobicContact CB-CD1 4.17Å; L109-L139 HydrophobicContact CB-CD2 4.11Å; L109-L139 HydrophobicContact CB-CG 3.97Å; L109-L139 HydrophobicContact CD2-CD2 4.38Å; L109-I160 HydrophobicContact CD2-CB 4.36Å; L109-I160 HydrophobicContact CD2-CD1 3.83Å; L109-I160 HydrophobicContact CD2-CG2 3.74Å |
| 110 | R | 92.9 | Very high | 90.8 | Very high | 97 Ų | 97 | 75.1 Ų | 75.1 | 37% | 0.366 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120.3 | 177.7 | -177.6 | 167.8 | 167.9 | 171 | -5.5 | 110 | R103 Q135 E136 | R103-R110 PolarHBondContact N-O 2.76Å; R103-R110 PolarHBondContact O-N 2.78Å; R110-Q135 WeakPolarHBondContact CA-O 3.33Å; R110-E136 HydrophobicContact CB-CG 4.22Å; R110-E136 HydrophobicContact CG-CG 4.11Å |
| 111 | V | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130 | 177.1 | -171.4 | 0 | 0 | 0 | 0 | 108.4 | L90 S101 V102 L109 F133 R134 Q135 F137 L158 I160 | L90-V111 HydrophobicContact CD1-CG1 4.43Å; L90-V111 HydrophobicContact CD1-CG2 4.28Å; L90-V111 HydrophobicContact CD2-CB 4.36Å; L90-V111 HydrophobicContact CD2-CG1 4.23Å; S101-V111 WeakPolarHBondContact O-CA 3.41Å; V102-V111 HydrophobicContact CG2-CG1 4.31Å; V102-V111 HydrophobicContact CG2-CG2 4.46Å; L109-V111 HydrophobicContact CD2-CG2 4.48Å; L109-V111 HydrophobicContact CG-CG2 4.36Å; V111-F133 HydrophobicContact CB-CE2 4.47Å; V111-F133 HydrophobicContact CG1-CE2 3.87Å; V111-F133 HydrophobicContact CG1-CZ 4.14Å; V111-R134 WeakPolarHBondContact O-CA 3.37Å; V111-Q135 PolarHBondContact N-O 3.26Å; V111-Q135 PolarHBondContact O-N 2.87Å; V111-F137 HydrophobicContact CG2-CD2 4.36Å; V111-F137 HydrophobicContact CG2-CE2 4.25Å; V111-L158 HydrophobicContact CG1-CD2 3.73Å; V111-I160 HydrophobicContact CG2-CD1 3.68Å |
| 112 | S | 93.3 | Very high | 89.6 | Confident | 27 Ų | 27 | 80.8 Ų | 80.8 | 19% | 0.189 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 148 | 176.6 | 57 | 0 | 0 | 0 | 0 | 111 | L100 S101 F133 | L100-S112 CarbonylContact C-O 3.57Å; L100-S112 WeakPolarHBondContact CA-O 3.35Å; S101-S112 PolarHBondContact N-O 3.43Å; S101-S112 PolarHBondContact O-N 2.96Å; S112-F133 VanDerWaalsContact CA-O 3.26Å; S112-F133 WeakPolarHBondContact CA-O 3.47Å |
| 113 | G | 93.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 87.1 Ų | 87.1 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 142.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F95 D99 E132 F133 | F95-G113 VanDerWaalsContact CE1-C 3.47Å; D99-G113 VanDerWaalsContact O-CA 3.24Å; D99-G113 WeakPolarHBondContact O-CA 3.45Å; G113-E132 CarbonylContact O-C 3.1Å; G113-E132 VanDerWaalsContact O-CA 3.27Å; G113-E132 WeakPolarHBondContact O-CA 3.48Å; G113-F133 VanDerWaalsContact CA-CE1 3.48Å; G113-F133 PolarHBondContact N-O 3.45Å; G113-F133 PolarHBondContact O-N 3.28Å |
| 114 | K | 92.1 | Very high | 88.9 | Confident | 119 Ų | 119 | 81.7 Ų | 81.7 | 52% | 0.517 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 120.8 | 173 | -175.9 | -178.4 | 177.5 | -175.5 | 0 | 109.6 | D99 L130 Q131 E132 | D99-K114 WeakPolarHBondContact CB-O 3.49Å; D99-K114 PolarHBondContact O-N 2.69Å; K114-L130 HydrophobicContact CG-CD1 4.21Å; K114-Q131 WeakPolarHBondContact CA-O 3.04Å; K114-E132 HydrophobicContact CB-CG 4.25Å; K114-E132 HydrophobicContact CG-CB 4.41Å; K114-E132 HydrophobicContact CG-CG 4.39Å |
| 115 | T | 90.4 | Very high | 88.7 | Confident | 9 Ų | 9 | 83 Ų | 83 | 6% | 0.055 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141.6 | 179.2 | -167.5 | 0 | 0 | 0 | 0 | 110.7 | F95 D99 L130 Q131 | F95-T115 HydrophobicContact CD1-CG2 3.69Å; F95-T115 HydrophobicContact CE1-CG2 3.62Å; F95-T115 HydrophobicContact CG-CG2 4.39Å; F95-T115 HydrophobicContact CZ-CG2 4.28Å; D99-T115 WeakPolarHBondContact OD2-CB 3.4Å; D99-T115 PolarHBondContact OD2-OG1 3.01Å; T115-L130 WeakPolarHBondContact O-CA 3.29Å; T115-L130 WeakPolarHBondContact O-CD1 3.5Å; T115-Q131 HydrophobicContact CG2-CB 3.89Å; T115-Q131 PolarHBondContact N-O 3.01Å; T115-Q131 PolarHBondContact O-N 2.82Å |
| 116 | E | 90.9 | Very high | 88.5 | Confident | 140 Ų | 140 | 84.2 Ų | 84.2 | 65% | 0.654 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 124.5 | 175.2 | -176.5 | 179.1 | 173.7 | 0 | 0 | 108.5 | S129 L130 | E116-S129 WeakPolarHBondContact CA-O 3.24Å; E116-L130 HydrophobicContact CB-CD1 4.22Å |
| 117 | K | 88.1 | Confident | 88.3 | Confident | 95 Ų | 95 | 84.4 Ų | 84.4 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.9 | 178.9 | -57.3 | 177.3 | -177.9 | 171.6 | 0 | 109.8 | G94 Y128 S129 | G94-K117 WeakPolarHBondContact O-CE 3.49Å; G94-K117 PolarHBondContact O-NZ 2.85Å; K117-Y128 CarbonylContact O-C 3.58Å; K117-Y128 WeakPolarHBondContact O-CA 3.1Å; K117-S129 WeakPolarHBondContact CB-OG 3.38Å; K117-S129 PolarHBondContact N-O 2.66Å; K117-S129 PolarHBondContact O-N 2.67Å |
| 118 | K | 89.9 | Confident | 88.3 | Confident | 117 Ų | 117 | 83.1 Ų | 83.1 | 51% | 0.509 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.7 | 169.9 | -178.5 | -178.7 | 177.3 | 172.4 | 0 | 108.1 | Y126 S127 Y128 | K118-Y126 HydrophobicContact CD-CD1 4.4Å; K118-Y126 HydrophobicContact CG-CD1 4.45Å; K118-S127 CarbonylContact C-O 3.47Å; K118-S127 WeakPolarHBondContact CA-O 3.34Å; K118-Y128 HydrophobicContact CB-CD1 4.05Å; K118-Y128 HydrophobicContact CB-CE1 3.95Å; K118-Y128 HydrophobicContact CD-CD1 4.49Å; K118-Y128 HydrophobicContact CD-CE1 3.59Å; K118-Y128 VanDerWaalsContact CE-OH 3.24Å; K118-Y128 WeakPolarHBondContact CE-OH 3.47Å; K118-Y128 HydrophobicContact CG-CD1 4.09Å; K118-Y128 HydrophobicContact CG-CE1 3.66Å; K118-Y128 PolarHBondContact NZ-OH 3.15Å |
| 119 | Q | 86.8 | Confident | 88 | Confident | 134 Ų | 134 | 80.8 Ų | 80.8 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.6 | 176.3 | -178.2 | 176.9 | 19.2 | 0 | 0 | 109.2 | Y126 S127 | Q119-Y126 CarbonylContact O-C 3.54Å; Q119-Y126 WeakPolarHBondContact O-CA 3.45Å; Q119-S127 WeakPolarHBondContact CB-OG 3.4Å; Q119-S127 PolarHBondContact N-O 3.42Å; Q119-S127 PolarHBondContact O-N 3.46Å |
| 120 | E | 89.8 | Confident | 87.8 | Confident | 110 Ų | 110 | 85.2 Ų | 85.2 | 51% | 0.514 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128 | 176.4 | -176.3 | 175.7 | -172.5 | 0 | 0 | 108.5 | G122 S125 Y126 | E120-G122 PolarHBondContact O-N 3.22Å; E120-S125 WeakPolarHBondContact CA-O 3.17Å; E120-Y126 HydrophobicContact CB-CD1 3.92Å; E120-Y126 HydrophobicContact CB-CE1 3.95Å; E120-Y126 HydrophobicContact CG-CD1 4.01Å; E120-Y126 HydrophobicContact CG-CE1 3.76Å |
| 121 | D | 80.7 | Confident | 87.6 | Confident | 107 Ų | 107 | 84.9 Ų | 84.9 | 57% | 0.572 | 44% | 0.442 | S | S | * | . | trans | -81.9 | 12.5 | -174.8 | -172.8 | 36 | 0 | 0 | 0 | 113.2 | K123 S125 | D121-K123 PolarHBondContact O-N 2.84Å; D121-S125 PolarHBondContact N-O 2.96Å | ||
| 122 | G | 81.7 | Confident | 87.4 | Confident | 73 Ų | 73 | 86.9 Ų | 86.9 | 75% | 0.753 | 45% | 0.451 | S | S | * | . | S | Bend | trans | 63.6 | -13.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | E120 | E120-G122 PolarHBondContact O-N 3.22Š|
| 123 | K | 86.5 | Confident | 87.3 | Confident | 179 Ų | 179 | 85.7 Ų | 85.7 | 78% | 0.778 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -93.8 | 11 | 174.3 | -66.8 | 179.9 | 179.8 | 177.8 | 0 | 113.1 | D121 S125 | D121-K123 PolarHBondContact O-N 2.84Å; K123-S125 VanDerWaalsContact C-N 3.35Å |
| 124 | G | 83.7 | Confident | 87.3 | Confident | 52 Ų | 52 | 92 Ų | 92 | 54% | 0.536 | 47% | 0.465 | S | S | . | . | S | Bend | trans | 83.1 | 6.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 125 | S | 84.4 | Confident | 87.3 | Confident | 70 Ų | 70 | 87.3 Ų | 87.3 | 49% | 0.49 | 45% | 0.445 | S | S | . | . | trans | -92.8 | 141 | 173 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | E120 D121 K123 | E120-S125 WeakPolarHBondContact CA-O 3.17Å; D121-S125 PolarHBondContact N-O 2.96Å; K123-S125 VanDerWaalsContact C-N 3.35Å | ||
| 126 | Y | 85.1 | Confident | 87.4 | Confident | 125 Ų | 125 | 91.6 Ų | 91.6 | 49% | 0.49 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.7 | 174.1 | -60.9 | -80.1 | 0 | 0 | 0 | 110.6 | K118 Q119 E120 | K118-Y126 HydrophobicContact CD-CD1 4.4Å; K118-Y126 HydrophobicContact CG-CD1 4.45Å; Q119-Y126 CarbonylContact O-C 3.54Å; Q119-Y126 WeakPolarHBondContact O-CA 3.45Å; E120-Y126 HydrophobicContact CB-CD1 3.92Å; E120-Y126 HydrophobicContact CB-CE1 3.95Å; E120-Y126 HydrophobicContact CG-CD1 4.01Å; E120-Y126 HydrophobicContact CG-CE1 3.76Å |
| 127 | S | 83 | Confident | 87.4 | Confident | 55 Ų | 55 | 85.8 Ų | 85.8 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 144 | 167.3 | 62.3 | 0 | 0 | 0 | 0 | 110.3 | K118 Q119 | K118-S127 CarbonylContact C-O 3.47Å; K118-S127 WeakPolarHBondContact CA-O 3.34Å; Q119-S127 WeakPolarHBondContact CB-OG 3.4Å; Q119-S127 PolarHBondContact N-O 3.42Å; Q119-S127 PolarHBondContact O-N 3.46Å |
| 128 | Y | 85.4 | Confident | 87.5 | Confident | 140 Ų | 140 | 86.7 Ų | 86.7 | 55% | 0.549 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128 | 175.6 | -66.2 | -95.1 | 0 | 0 | 0 | 108.3 | K117 K118 | K117-Y128 CarbonylContact O-C 3.58Å; K117-Y128 WeakPolarHBondContact O-CA 3.1Å; K118-Y128 HydrophobicContact CB-CD1 4.05Å; K118-Y128 HydrophobicContact CB-CE1 3.95Å; K118-Y128 HydrophobicContact CD-CD1 4.49Å; K118-Y128 HydrophobicContact CD-CE1 3.59Å; K118-Y128 VanDerWaalsContact CE-OH 3.24Å; K118-Y128 WeakPolarHBondContact CE-OH 3.47Å; K118-Y128 HydrophobicContact CG-CD1 4.09Å; K118-Y128 HydrophobicContact CG-CE1 3.66Å; K118-Y128 PolarHBondContact NZ-OH 3.15Å |
| 129 | S | 84.1 | Confident | 87.3 | Confident | 44 Ų | 44 | 81.7 Ų | 81.7 | 31% | 0.308 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.8 | 174.8 | 67 | 0 | 0 | 0 | 0 | 110 | E116 K117 | E116-S129 WeakPolarHBondContact CA-O 3.24Å; K117-S129 WeakPolarHBondContact CB-OG 3.38Å; K117-S129 PolarHBondContact N-O 2.66Å; K117-S129 PolarHBondContact O-N 2.67Å |
| 130 | L | 88.1 | Confident | 87.2 | Confident | 93 Ų | 93 | 77.4 Ų | 77.4 | 49% | 0.487 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.4 | 172.4 | 177.3 | 70.6 | 0 | 0 | 0 | 108.7 | K114 T115 E116 | K114-L130 HydrophobicContact CG-CD1 4.21Å; T115-L130 WeakPolarHBondContact O-CA 3.29Å; T115-L130 WeakPolarHBondContact O-CD1 3.5Å; E116-L130 HydrophobicContact CB-CD1 4.22Å |
| 131 | Q | 87.8 | Confident | 86.7 | Confident | 91 Ų | 91 | 78.9 Ų | 78.9 | 43% | 0.425 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130 | 174.1 | -163.9 | -176.2 | -21.4 | 0 | 0 | 109.1 | F95 K114 T115 | F95-Q131 HydrophobicContact CE1-CB 4.4Å; F95-Q131 HydrophobicContact CE2-CG 4.11Å; F95-Q131 VanDerWaalsContact CE2-NE2 3.26Å; F95-Q131 HydrophobicContact CZ-CB 3.95Å; F95-Q131 HydrophobicContact CZ-CG 3.61Å; K114-Q131 WeakPolarHBondContact CA-O 3.04Å; T115-Q131 HydrophobicContact CG2-CB 3.89Å; T115-Q131 PolarHBondContact N-O 3.01Å; T115-Q131 PolarHBondContact O-N 2.82Å |
| 132 | E | 90.7 | Very high | 86.3 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 19% | 0.192 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 137.1 | 176.8 | -173.2 | 177.7 | 174.3 | 0 | 0 | 110.3 | L72 G113 K114 R134 | L72-E132 HydrophobicContact CD2-CB 3.82Å; L72-E132 HydrophobicContact CD2-CG 3.6Å; G113-E132 CarbonylContact O-C 3.1Å; G113-E132 VanDerWaalsContact O-CA 3.27Å; G113-E132 WeakPolarHBondContact O-CA 3.48Å; K114-E132 HydrophobicContact CB-CG 4.25Å; K114-E132 HydrophobicContact CG-CB 4.41Å; K114-E132 HydrophobicContact CG-CG 4.39Å; E132-R134 IonicContact OE1-CZ 3.99Å; E132-R134 IonicContact OE1-NE 2.67Å; E132-R134 PolarHBondContact OE1-NE 3.16Å; E132-R134 IonicContact OE1-NH2 3.15Å; E132-R134 PolarHBondContact OE1-NH2 2.9Å |
| 133 | F | 91.9 | Very high | 86.1 | Confident | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.009 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.6 | 170.1 | 77.9 | -87.9 | 0 | 0 | 0 | 111.5 | Q73 V75 T92 F95 L100 V111 S112 G113 | Q73-F133 WeakPolarHBondContact O-CB 3.31Å; V75-F133 HydrophobicContact CB-CD2 4.3Å; V75-F133 HydrophobicContact CB-CG 4.45Å; V75-F133 HydrophobicContact CG2-CB 3.72Å; V75-F133 HydrophobicContact CG2-CD1 3.55Å; V75-F133 HydrophobicContact CG2-CD2 3.64Å; V75-F133 HydrophobicContact CG2-CE1 4Å; V75-F133 HydrophobicContact CG2-CE2 4.09Å; V75-F133 HydrophobicContact CG2-CG 3.35Å; V75-F133 HydrophobicContact CG2-CZ 4.26Å; T92-F133 HydrophobicContact CG2-CE1 4.07Å; T92-F133 HydrophobicContact CG2-CZ 3.69Å; F95-F133 HydrophobicContact CD1-CE1 4.45Å; F95-F133 HydrophobicContact CD2-CD1 4.38Å; F95-F133 AromaticContact CD2-CE1 4Å; F95-F133 HydrophobicContact CD2-CE1 4Å; F95-F133 HydrophobicContact CE1-CD1 4.12Å; F95-F133 HydrophobicContact CE1-CE1 4.23Å; F95-F133 AromaticContact CE2-CD1 3.65Å; F95-F133 HydrophobicContact CE2-CD1 3.65Å; F95-F133 AromaticContact CE2-CE1 3.73Å; F95-F133 HydrophobicContact CE2-CE1 3.73Å; F95-F133 HydrophobicContact CG-CE1 4.35Å; F95-F133 AromaticContact CZ-CD1 3.5Å; F95-F133 HydrophobicContact CZ-CD1 3.5Å; F95-F133 AromaticContact CZ-CE1 3.86Å; F95-F133 HydrophobicContact CZ-CE1 3.86Å; L100-F133 HydrophobicContact CD2-CE1 3.76Å; L100-F133 HydrophobicContact CD2-CZ 3.77Å; V111-F133 HydrophobicContact CB-CE2 4.47Å; V111-F133 HydrophobicContact CG1-CE2 3.87Å; V111-F133 HydrophobicContact CG1-CZ 4.14Å; S112-F133 VanDerWaalsContact CA-O 3.26Å; S112-F133 WeakPolarHBondContact CA-O 3.47Å; G113-F133 VanDerWaalsContact CA-CE1 3.48Å; G113-F133 PolarHBondContact N-O 3.45Å; G113-F133 PolarHBondContact O-N 3.28Å |
| 134 | R | 92.4 | Very high | 85.5 | Confident | 135 Ų | 135 | 68.6 Ų | 68.6 | 51% | 0.509 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 124.8 | 172.9 | -60.3 | -178.9 | -174.9 | -176.4 | 0.8 | 108.8 | V111 E132 | V111-R134 WeakPolarHBondContact O-CA 3.37Å; E132-R134 IonicContact OE1-CZ 3.99Å; E132-R134 IonicContact OE1-NE 2.67Å; E132-R134 PolarHBondContact OE1-NE 3.16Å; E132-R134 IonicContact OE1-NH2 3.15Å; E132-R134 PolarHBondContact OE1-NH2 2.9Å |
| 135 | Q | 92 | Very high | 85 | Confident | 21 Ų | 21 | 71.9 Ų | 71.9 | 10% | 0.098 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 146.4 | 177.1 | -75.2 | 175.1 | -61.8 | 0 | 0 | 110.4 | P74 V75 R110 V111 F137 | P74-Q135 HydrophobicContact CB-CG 4.26Å; V75-Q135 PolarHBondContact O-NE2 3.33Å; V75-Q135 PolarHBondContact O-OE1 3.41Å; R110-Q135 WeakPolarHBondContact CA-O 3.33Å; V111-Q135 PolarHBondContact N-O 3.26Å; V111-Q135 PolarHBondContact O-N 2.87Å; Q135-F137 HydrophobicContact CB-CE2 3.58Å; Q135-F137 HydrophobicContact CB-CZ 3.79Å |
| 136 | E | 93 | Very high | 84.6 | Confident | 99 Ų | 99 | 77.5 Ų | 77.5 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.3 | 176.1 | -66.3 | -172.5 | 175.4 | 0 | 0 | 109.2 | K108 L109 R110 | K108-E136 IonicContact NZ-OE2 2.66Å; K108-E136 PolarHBondContact NZ-OE2 2.79Å; L109-E136 CarbonylContact O-C 3.53Å; L109-E136 WeakPolarHBondContact O-CA 3.5Å; R110-E136 HydrophobicContact CB-CG 4.22Å; R110-E136 HydrophobicContact CG-CG 4.11Å |
| 137 | F | 91.3 | Very high | 84.2 | Confident | 18 Ų | 18 | 74.5 Ų | 74.5 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141.1 | 179 | -55.3 | -89.3 | 0 | 0 | 0 | 109.1 | Y77 L88 L90 K108 L109 V111 Q135 | Y77-F137 HydrophobicContact CD1-CE1 4.02Å; Y77-F137 HydrophobicContact CD1-CZ 4.31Å; Y77-F137 AromaticContact CD2-CE1 3.79Å; Y77-F137 HydrophobicContact CD2-CE1 3.79Å; Y77-F137 HydrophobicContact CE1-CE1 4.3Å; Y77-F137 HydrophobicContact CE2-CE1 4.09Å; Y77-F137 AromaticContact CG-CE1 3.76Å; Y77-F137 HydrophobicContact CG-CE1 3.76Å; Y77-F137 HydrophobicContact CG-CZ 4.15Å; L88-F137 HydrophobicContact CD1-CD1 3.91Å; L88-F137 HydrophobicContact CD1-CE1 3.79Å; L88-F137 HydrophobicContact CD1-CG 4.36Å; L88-F137 HydrophobicContact CD1-CZ 4.13Å; L88-F137 HydrophobicContact CD2-CB 4.17Å; L88-F137 HydrophobicContact CD2-CD1 4.02Å; L88-F137 HydrophobicContact CD2-CD2 3.46Å; L88-F137 VanDerWaalsContact CD2-CD2 3.46Å; L88-F137 HydrophobicContact CD2-CE1 4.28Å; L88-F137 HydrophobicContact CD2-CE2 3.77Å; L88-F137 HydrophobicContact CD2-CG 3.6Å; L88-F137 HydrophobicContact CD2-CZ 4.16Å; L90-F137 HydrophobicContact CD2-CE2 3.79Å; L90-F137 HydrophobicContact CD2-CZ 3.78Å; L90-F137 HydrophobicContact CG-CZ 4.44Å; K108-F137 CarbonylContact C-O 3.51Å; K108-F137 WeakPolarHBondContact CA-O 3.37Å; L109-F137 HydrophobicContact CB-CB 4.46Å; L109-F137 PolarHBondContact N-O 3.27Å; L109-F137 PolarHBondContact O-N 3.38Å; V111-F137 HydrophobicContact CG2-CD2 4.36Å; V111-F137 HydrophobicContact CG2-CE2 4.25Å; Q135-F137 HydrophobicContact CB-CE2 3.58Å; Q135-F137 HydrophobicContact CB-CZ 3.79Å |
| 138 | D | 89.4 | Confident | 84.3 | Confident | 115 Ų | 115 | 73.6 Ų | 73.6 | 62% | 0.615 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 129.1 | 174.7 | -63.3 | -57.1 | 0 | 0 | 0 | 109.8 | ||
| 139 | L | 86.6 | Confident | 84.5 | Confident | 12 Ų | 12 | 69.7 Ų | 69.7 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 148.5 | 173.4 | -68.8 | 170.5 | 0 | 0 | 0 | 110.3 | F86 Q104 R107 L109 | F86-L139 HydrophobicContact CD1-CD2 3.97Å; F86-L139 HydrophobicContact CE1-CD2 3.76Å; F86-L139 HydrophobicContact CE2-CD2 4.49Å; F86-L139 HydrophobicContact CG-CD2 4.45Å; F86-L139 HydrophobicContact CZ-CD2 4.04Å; Q104-L139 HydrophobicContact CG-CD1 3.88Å; R107-L139 WeakPolarHBondContact O-CB 3.17Å; R107-L139 PolarHBondContact O-N 2.73Å; L109-L139 HydrophobicContact CB-CD1 4.17Å; L109-L139 HydrophobicContact CB-CD2 4.11Å; L109-L139 HydrophobicContact CB-CG 3.97Å; L109-L139 HydrophobicContact CD2-CD2 4.38Å |
| 140 | P | 83.2 | Confident | 84.8 | Confident | 43 Ų | 43 | 71.3 Ų | 71.3 | 28% | 0.279 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 158.2 | 171.7 | -18.9 | 29 | 0 | 0 | 0 | 112.8 | F86 V143 | F86-P140 HydrophobicContact CB-CG 3.86Å; F86-P140 HydrophobicContact CD2-CG 3.83Å; F86-P140 HydrophobicContact CG-CG 4.2Å; P140-V143 HydrophobicContact CB-CG2 4.1Å; P140-V143 HydrophobicContact CG-CG2 4.27Å |
| 141 | E | 79.6 | Confident | 85 | Confident | 142 Ų | 142 | 71 Ų | 71 | 66% | 0.664 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 138.6 | 175.3 | -162.8 | 154.6 | -133 | 0 | 0 | 110.9 | R107 | R107-E141 IonicContact NH1-OE1 2.78Š|
| 142 | G | 72.7 | Confident | 85.2 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 40% | 0.402 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 4.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | V165 | G142-V165 WeakPolarHBondContact O-CG2 3.13Š|
| 143 | V | 78.2 | Confident | 85.3 | Confident | 14 Ų | 14 | 68.7 Ų | 68.7 | 9% | 0.085 | 36% | 0.36 | C | S | . | . | trans | -79.5 | 119.5 | 173.3 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | P140 V148 A162 | P140-V143 HydrophobicContact CB-CG2 4.1Å; P140-V143 HydrophobicContact CG-CG2 4.27Å; V143-V148 HydrophobicContact CG1-CG2 3.91Å; V143-A162 HydrophobicContact CG1-CB 3.63Å; V143-A162 HydrophobicContact CG2-CB 4.35Å | ||
| 144 | N | 73 | Confident | 85.2 | Confident | 89 Ų | 89 | 75.5 Ų | 75.5 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | trans | -83.6 | 157.5 | 172.6 | -55.1 | -63.9 | 0 | 0 | 0 | 111.5 | E146 D147 | N144-E146 PolarHBondContact O-N 3.45Å; N144-D147 WeakPolarHBondContact CB-OD2 3.33Å; N144-D147 PolarHBondContact ND2-OD2 2.94Å; N144-D147 PolarHBondContact O-N 3.47Å | ||
| 145 | H | 72.7 | Confident | 85.2 | Confident | 121 Ų | 121 | 72.8 Ų | 72.8 | 56% | 0.56 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -62.6 | -30.1 | 178.1 | -66.4 | -155.3 | 0 | 0 | 0 | 112.5 | Q104 D147 | Q104-H145 PolarHBondContact NE2-CD2 2.86Å; Q104-H145 PolarHBondContact NE2-NE2 2.57Å; Q104-H145 PolarHBondContact OE1-CD2 2.79Å; H145-D147 VanDerWaalsContact C-N 3.32Å |
| 146 | E | 76.4 | Confident | 85 | Confident | 188 Ų | 188 | 72.4 Ų | 72.4 | 88% | 0.879 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -76 | -21.8 | -179.7 | -56.5 | -171.3 | 176.6 | 0 | 0 | 112.6 | N144 V148 | N144-E146 PolarHBondContact O-N 3.45Å; E146-V148 VanDerWaalsContact C-N 3.33Å |
| 147 | D | 77.9 | Confident | 85.1 | Confident | 63 Ų | 63 | 71.3 Ų | 71.3 | 34% | 0.337 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -87.7 | -4.4 | -178.3 | -60.7 | -41.6 | 0 | 0 | 0 | 112.5 | N144 H145 A163 | N144-D147 WeakPolarHBondContact CB-OD2 3.33Å; N144-D147 PolarHBondContact ND2-OD2 2.94Å; N144-D147 PolarHBondContact O-N 3.47Å; H145-D147 VanDerWaalsContact C-N 3.32Å; D147-A163 HydrophobicContact CB-CB 4.45Å |
| 148 | V | 84.9 | Confident | 85.3 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 22% | 0.218 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 116.6 | 176.5 | -176 | 0 | 0 | 0 | 0 | 109.4 | V143 E146 I160 Q161 A162 | V143-V148 HydrophobicContact CG1-CG2 3.91Å; E146-V148 VanDerWaalsContact C-N 3.33Å; V148-I160 HydrophobicContact CG1-CG2 3.83Å; V148-Q161 WeakPolarHBondContact CA-O 3.39Å; V148-A162 HydrophobicContact CG2-CB 4.03Å |
| 149 | S | 88.4 | Confident | 85.5 | Confident | 58 Ų | 58 | 67 Ų | 67 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.5 | 173.6 | 66.4 | 0 | 0 | 0 | 0 | 110.7 | I160 Q161 | S149-I160 WeakPolarHBondContact O-CA 3.35Å; S149-Q161 PolarHBondContact N-O 3.38Å; S149-Q161 PolarHBondContact O-N 3.41Å; S149-Q161 PolarHBondContact OG-O 2.86Å |
| 150 | C | 90.4 | Very high | 85.8 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 52% | 0.52 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 145.7 | 176.1 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | H159 I160 | C150-H159 CarbonylContact C-O 3.57Å; C150-H159 VanDerWaalsContact CA-O 3.25Å; C150-H159 WeakPolarHBondContact CA-O 3.45Å; C150-I160 HydrophobicContact CB-CG1 4.16Å |
| 151 | H | 92.2 | Very high | 86.1 | Confident | 87 Ų | 87 | 69.5 Ų | 69.5 | 40% | 0.403 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 145.8 | 173.2 | 61.7 | -85.5 | 0 | 0 | 0 | 110.7 | H159 | H151-H159 AromaticContact CD2-CD2 3.73Å; H151-H159 WeakPolarHBondContact CE1-CB 3.39Å; H151-H159 AromaticContact CE1-CG 3.98Å; H151-H159 PolarHBondContact N-O 3.36Å; H151-H159 WeakPolarHBondContact NE2-CB 3.34Å; H151-H159 AromaticContact NE2-CD2 3.41Å; H151-H159 PolarHBondContact NE2-CD2 3.5Å; H151-H159 AromaticContact NE2-CG 3.56Å; H151-H159 PolarHBondContact O-N 3.42Å |
| 152 | L | 93 | Very high | 86.4 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 120.9 | 174.3 | -174 | 70.6 | 0 | 0 | 0 | 109.1 | T92 P97 L100 L158 | T92-L152 VanDerWaalsContact OG1-CD1 3.3Å; T92-L152 WeakPolarHBondContact OG1-CD1 3.31Å; P97-L152 HydrophobicContact CB-CD2 4.4Å; P97-L152 HydrophobicContact CG-CD2 3.72Å; L100-L152 HydrophobicContact CD1-CD1 4.04Å; L100-L152 HydrophobicContact CD1-CD2 4.32Å; L152-L158 HydrophobicContact CD1-CB 4.1Å |
| 153 | S | 92.9 | Very high | 86.6 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 19% | 0.189 | 35% | 0.35 | C | S | . | . | trans | -77.9 | 152.9 | 176.4 | -72 | 0 | 0 | 0 | 0 | 111.4 | D155 G156 K157 H159 | S153-D155 WeakPolarHBondContact CB-OD1 3.25Å; S153-D155 PolarHBondContact O-N 2.86Å; S153-D155 VanDerWaalsContact O-N 3.12Å; S153-G156 PolarHBondContact O-N 3.36Å; S153-K157 PolarHBondContact N-O 3.5Å; S153-H159 PolarHBondContact OG-CD2 2.9Å; S153-H159 PolarHBondContact OG-NE2 3.18Å | ||
| 154 | P | 89.9 | Confident | 86.1 | Confident | 144 Ų | 144 | 67 Ų | 67 | 94% | 0.935 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -20 | 178.6 | -23 | 33.3 | 0 | 0 | 0 | 114.6 | G156 | P154-G156 PolarHBondContact O-N 3.01Š|
| 155 | D | 90.9 | Very high | 85.5 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 0.3 | 174.4 | 69.1 | -22.8 | 0 | 0 | 0 | 113.1 | S153 K157 | S153-D155 WeakPolarHBondContact CB-OD1 3.25Å; S153-D155 PolarHBondContact O-N 2.86Å; S153-D155 VanDerWaalsContact O-N 3.12Å; D155-K157 PolarHBondContact OD1-N 2.91Å; D155-K157 VanDerWaalsContact OD2-CD 3.3Å; D155-K157 WeakPolarHBondContact OD2-CD 3.39Å; D155-K157 WeakPolarHBondContact OD2-CE 3.42Å; D155-K157 IonicContact OD2-NZ 3.77Å; D155-K157 PolarHBondContact OD2-NZ 3.37Å |
| 156 | G | 89.3 | Confident | 84.6 | Confident | 14 Ų | 14 | 64.2 Ų | 64.2 | 14% | 0.144 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 89.5 | 9.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T92 Q93 S153 P154 | T92-G156 CarbonylContact C-O 3.57Å; T92-G156 VanDerWaalsContact CA-O 3.26Å; T92-G156 WeakPolarHBondContact CA-O 3.38Å; T92-G156 PolarHBondContact N-O 3.47Å; T92-G156 PolarHBondContact OG1-O 2.92Å; Q93-G156 PolarHBondContact N-O 3.2Å; S153-G156 PolarHBondContact O-N 3.36Å; P154-G156 PolarHBondContact O-N 3.01Å |
| 157 | K | 94.6 | Very high | 83 | Confident | 75 Ų | 75 | 59.8 Ų | 59.8 | 33% | 0.326 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128 | 179.4 | -64.8 | -177 | -167.8 | 129.6 | 0 | 112.5 | T89 L90 S153 D155 H159 | T89-K157 HydrophobicContact CG2-CB 4.1Å; T89-K157 HydrophobicContact CG2-CD 4.12Å; L90-K157 CarbonylContact O-C 3.59Å; L90-K157 VanDerWaalsContact O-CA 3.3Å; L90-K157 WeakPolarHBondContact O-CA 3.35Å; S153-K157 PolarHBondContact N-O 3.5Å; D155-K157 PolarHBondContact OD1-N 2.91Å; D155-K157 VanDerWaalsContact OD2-CD 3.3Å; D155-K157 WeakPolarHBondContact OD2-CD 3.39Å; D155-K157 WeakPolarHBondContact OD2-CE 3.42Å; D155-K157 IonicContact OD2-NZ 3.77Å; D155-K157 PolarHBondContact OD2-NZ 3.37Å; K157-H159 PolarHBondContact O-CD2 2.99Å |
| 158 | L | 95.3 | Very high | 81.4 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116.7 | 174.1 | 177.5 | 64.4 | 0 | 0 | 0 | 109.2 | T89 L90 T92 V102 V111 L152 I160 | T89-L158 CarbonylContact C-O 3.6Å; T89-L158 WeakPolarHBondContact CA-O 3.3Å; L90-L158 HydrophobicContact CB-CB 4.45Å; L90-L158 HydrophobicContact CD1-CD2 4.32Å; L90-L158 PolarHBondContact N-O 2.92Å; L90-L158 PolarHBondContact O-N 3.32Å; T92-L158 HydrophobicContact CG2-CB 4.02Å; V102-L158 HydrophobicContact CG2-CD2 3.87Å; V111-L158 HydrophobicContact CG1-CD2 3.73Å; L152-L158 HydrophobicContact CD1-CB 4.1Å; L158-I160 HydrophobicContact CD2-CD1 4.1Å; L158-I160 HydrophobicContact CD2-CG1 4.46Å; L158-I160 HydrophobicContact CG-CD1 4.29Å; L158-I160 HydrophobicContact CG-CG1 4.12Å |
| 159 | H | 93.6 | Very high | 79.7 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 17% | 0.167 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132.2 | 175.5 | -59 | -81.4 | 0 | 0 | 0 | 109.8 | L88 T89 C150 H151 S153 K157 | L88-H159 CarbonylContact O-C 3.59Å; L88-H159 WeakPolarHBondContact O-CA 3.4Å; T89-H159 VanDerWaalsContact CG2-CE1 3.5Å; T89-H159 WeakPolarHBondContact CG2-CE1 3.5Å; T89-H159 WeakPolarHBondContact CG2-ND1 3.42Å; T89-H159 PolarHBondContact OG1-ND1 2.74Å; C150-H159 CarbonylContact C-O 3.57Å; C150-H159 VanDerWaalsContact CA-O 3.25Å; C150-H159 WeakPolarHBondContact CA-O 3.45Å; H151-H159 AromaticContact CD2-CD2 3.73Å; H151-H159 WeakPolarHBondContact CE1-CB 3.39Å; H151-H159 AromaticContact CE1-CG 3.98Å; H151-H159 PolarHBondContact N-O 3.36Å; H151-H159 WeakPolarHBondContact NE2-CB 3.34Å; H151-H159 AromaticContact NE2-CD2 3.41Å; H151-H159 PolarHBondContact NE2-CD2 3.5Å; H151-H159 AromaticContact NE2-CG 3.56Å; H151-H159 PolarHBondContact O-N 3.42Å; S153-H159 PolarHBondContact OG-CD2 2.9Å; S153-H159 PolarHBondContact OG-NE2 3.18Å; K157-H159 PolarHBondContact O-CD2 2.99Å |
| 160 | I | 92.4 | Very high | 77.8 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 122.8 | 178.3 | -52.1 | 174.5 | 0 | 0 | 0 | 107.2 | L88 L90 V102 L109 V111 V148 S149 C150 L158 | L88-I160 HydrophobicContact CB-CB 4.34Å; L88-I160 HydrophobicContact CD2-CD1 4.31Å; L88-I160 PolarHBondContact N-O 3.25Å; L88-I160 PolarHBondContact O-N 3.01Å; L90-I160 HydrophobicContact CD1-CD1 3.97Å; V102-I160 HydrophobicContact CG1-CD1 3.99Å; V102-I160 HydrophobicContact CG2-CD1 4.02Å; L109-I160 HydrophobicContact CD2-CB 4.36Å; L109-I160 HydrophobicContact CD2-CD1 3.83Å; L109-I160 HydrophobicContact CD2-CG2 3.74Å; V111-I160 HydrophobicContact CG2-CD1 3.68Å; V148-I160 HydrophobicContact CG1-CG2 3.83Å; S149-I160 WeakPolarHBondContact O-CA 3.35Å; C150-I160 HydrophobicContact CB-CG1 4.16Å; L158-I160 HydrophobicContact CD2-CD1 4.1Å; L158-I160 HydrophobicContact CD2-CG1 4.46Å; L158-I160 HydrophobicContact CG-CD1 4.29Å; L158-I160 HydrophobicContact CG-CG1 4.12Å |
| 161 | Q | 89.9 | Confident | 75.5 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 50% | 0.495 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 139.2 | -179.5 | -66.1 | 179.1 | 7.3 | 0 | 0 | 109.4 | F86 V148 S149 | F86-Q161 CarbonylContact O-C 3.55Å; F86-Q161 WeakPolarHBondContact O-CA 3.36Å; V148-Q161 WeakPolarHBondContact CA-O 3.39Å; S149-Q161 PolarHBondContact N-O 3.38Å; S149-Q161 PolarHBondContact O-N 3.41Å; S149-Q161 PolarHBondContact OG-O 2.86Å |
| 162 | A | 85.2 | Confident | 73.3 | Confident | 2 Ų | 2 | 77.4 Ų | 77.4 | 2% | 0.017 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 130.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F86 V143 V148 | F86-A162 HydrophobicContact CB-CB 4.23Å; F86-A162 HydrophobicContact CD1-CB 4.35Å; F86-A162 PolarHBondContact N-O 3.04Å; F86-A162 PolarHBondContact O-N 3.1Å; V143-A162 HydrophobicContact CG1-CB 3.63Å; V143-A162 HydrophobicContact CG2-CB 4.35Å; V148-A162 HydrophobicContact CG2-CB 4.03Å |
| 163 | A | 77 | Confident | 71.1 | Confident | 52 Ų | 52 | 84.7 Ų | 84.7 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 130 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | D147 V165 | D147-A163 HydrophobicContact CB-CB 4.45Å; A163-V165 PolarHBondContact O-N 2.95Å |
| 164 | K | 68.8 | Low | 68.9 | Low | 87 Ų | 87 | 91.4 Ų | 91.4 | 38% | 0.378 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 118.9 | 166.1 | -163.8 | -177.2 | 176.2 | -166.6 | 0 | 105.9 | E84 P166 | E84-K164 WeakPolarHBondContact O-CB 3.11Å; E84-K164 PolarHBondContact O-N 3.41Å; K164-P166 WeakPolarHBondContact O-CD 3.32Å |
| 165 | V | 60.5 | Low | 66.7 | Low | 67 Ų | 67 | 91.7 Ų | 91.7 | 41% | 0.406 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 123.6 | 165.2 | -178.2 | 0 | 0 | 0 | 0 | 105.6 | G142 A163 C167 | G142-V165 WeakPolarHBondContact O-CG2 3.13Å; A163-V165 PolarHBondContact O-N 2.95Å; V165-C167 PolarHBondContact O-N 3.41Å |
| 166 | P | 53.3 | Low | 64.2 | Low | 85 Ų | 85 | 93.1 Ų | 93.1 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | trans | -59.2 | 115.9 | 175.2 | 22.1 | -30.2 | 0 | 0 | 0 | 107.1 | K164 I168 | K164-P166 WeakPolarHBondContact O-CD 3.32Å; P166-I168 PolarHBondContact O-N 3.37Å | ||
| 167 | C | 41.6 | Very low | 61.9 | Low | 96 Ų | 96 | 100 Ų | 100 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | trans | -55.7 | 116.2 | 160.4 | -95.2 | 0 | 0 | 0 | 0 | 105.6 | V165 E169 | V165-C167 PolarHBondContact O-N 3.41Å; C167-E169 HydrophobicContact CB-CG 4.36Å; C167-E169 PolarHBondContact O-N 2.86Å | ||
| 168 | I | 45.8 | Very low | 59.2 | Low | 146 Ų | 146 | 105.5 Ų | 105.5 | 75% | 0.749 | 55% | 0.554 | S | S | * | * | trans | -66.9 | 80.8 | 166.2 | -56.8 | 173.6 | 0 | 0 | 0 | 105.7 | P166 G170 | P166-I168 PolarHBondContact O-N 3.37Å; I168-G170 PolarHBondContact O-N 2.9Å | ||
| 169 | E | 48.9 | Very low | 56.1 | Low | 184 Ų | 184 | 116.2 Ų | 116.2 | 86% | 0.86 | 59% | 0.594 | S | S | * | * | trans | -74.1 | 105.5 | 160.3 | -69.5 | -161.8 | 166.4 | 0 | 0 | 106.7 | C167 | C167-E169 HydrophobicContact CB-CG 4.36Å; C167-E169 PolarHBondContact O-N 2.86Å | ||
| 170 | G | 49.2 | Very low | 53.5 | Low | 68 Ų | 68 | 120.2 Ų | 120.2 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | trans | 82.6 | 68.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | I168 | I168-G170 PolarHBondContact O-N 2.9Š| ||
| 171 | T | 40.6 | Very low | 51 | Low | 108 Ų | 108 | 124.9 Ų | 124.9 | 66% | 0.663 | 66% | 0.659 | S | S | * | * | trans | -132.1 | 84.9 | 137.6 | -52.2 | 0 | 0 | 0 | 0 | 107.3 | R173 | T171-R173 PolarHBondContact O-N 3.22Š| ||
| 172 | E | 45.9 | Very low | 49 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 86% | 0.86 | 68% | 0.678 | S | S | * | * | trans | -47.7 | 103.7 | 159.9 | -176.8 | 174.3 | -162.9 | 0 | 0 | 107.6 | E174 | E172-E174 PolarHBondContact O-N 2.86Š| ||
| 173 | R | 48.6 | Very low | 46.7 | Very low | 211 Ų | 211 | 137 Ų | 137 | 80% | 0.796 | 72% | 0.715 | S | S | * | * | trans | -78.8 | 103.9 | 166.2 | -62.5 | -174.4 | -173.3 | -174.4 | 2.6 | 105.1 | T171 L175 | T171-R173 PolarHBondContact O-N 3.22Å; R173-L175 PolarHBondContact O-N 3.49Å | ||
| 174 | E | 46.5 | Very low | 45 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | -58.1 | 102.6 | 167.4 | -172.3 | -177.4 | 162 | 0 | 0 | 107.9 | E172 T176 | E172-E174 PolarHBondContact O-N 2.86Å; E174-T176 PolarHBondContact O-N 2.68Å | ||
| 175 | L | 43 | Very low | 43.5 | Very low | 150 Ų | 150 | 143 Ų | 143 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -83.7 | 98.3 | 172 | -65.5 | 178.7 | 0 | 0 | 0 | 107.3 | R173 I177 | R173-L175 PolarHBondContact O-N 3.49Å; L175-I177 PolarHBondContact O-N 2.82Å | ||
| 176 | T | 38.5 | Very low | 42.2 | Very low | 109 Ų | 109 | 147 Ų | 147 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | trans | -63.6 | 107.3 | 171.7 | -48.9 | 0 | 0 | 0 | 0 | 109.5 | E174 K178 | E174-T176 PolarHBondContact O-N 2.68Å; T176-K178 PolarHBondContact O-N 2.99Å; T176-K178 VanDerWaalsContact O-N 3.1Å | ||
| 177 | I | 40 | Very low | 41.3 | Very low | 157 Ų | 157 | 151.7 Ų | 151.7 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -71.2 | 102.6 | 171.7 | -58.5 | 175.3 | 0 | 0 | 0 | 107.6 | L175 R179 | L175-I177 PolarHBondContact O-N 2.82Å; I177-R179 PolarHBondContact O-N 2.92Å | ||
| 178 | K | 38.6 | Very low | 41.2 | Very low | 192 Ų | 192 | 152.9 Ų | 152.9 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -75.6 | 110.6 | 166.6 | -71.6 | -163.4 | 175.5 | -174.9 | 0 | 108.7 | T176 S180 | T176-K178 PolarHBondContact O-N 2.99Å; T176-K178 VanDerWaalsContact O-N 3.1Å; K178-S180 PolarHBondContact O-N 2.93Å | ||
| 179 | R | 29.9 | Very low | 40.4 | Very low | 233 Ų | 233 | 152.4 Ų | 152.4 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -66.3 | 111.4 | 169.4 | -169.3 | 176.5 | -172.1 | 163 | 1 | 108.2 | I177 S181 | I177-R179 PolarHBondContact O-N 2.92Å; R179-S181 PolarHBondContact O-N 3.23Å; R179-S181 VanDerWaalsContact O-N 3.11Å | ||
| 180 | S | 39.5 | Very low | 39.6 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -69.9 | 99.7 | 163.9 | 50.4 | 0 | 0 | 0 | 0 | 107.7 | K178 | K178-S180 PolarHBondContact O-N 2.93Š| ||
| 181 | S | 39.3 | Very low | 38.9 | Very low | 100 Ų | 100 | 150.4 Ų | 150.4 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -80.9 | 116.2 | 163.3 | 51.6 | 0 | 0 | 0 | 0 | 108.1 | R179 | R179-S181 PolarHBondContact O-N 3.23Å; R179-S181 VanDerWaalsContact O-N 3.11Å | ||
| 182 | E | 48.3 | Very low | 38.7 | Very low | 189 Ų | 189 | 154.6 Ų | 154.6 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -80.7 | 119 | 161.7 | -158.2 | 169.5 | -177.6 | 0 | 0 | 106.9 | ||||
| 183 | E | 37.3 | Very low | 38.6 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -143.9 | 100.8 | 160.3 | -101.3 | -175.9 | 127.1 | 0 | 0 | 107.7 | ||||
| 184 | E | 41 | Very low | 38 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -75.4 | 137.2 | 147.1 | -161.4 | -167.3 | 138.6 | 0 | 0 | 107.1 | Q186 | E184-Q186 WeakPolarHBondContact OE1-CG 3.31Š| ||
| 185 | P | 36.6 | Very low | 37.9 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | -134.6 | 147.4 | 124.4 | 28.8 | -14.1 | 0 | 0 | 0 | 113.4 | |||||
| 186 | Q | 33.2 | Very low | 38.2 | Very low | 149 Ų | 149 | 151.3 Ų | 151.3 | 70% | 0.696 | 81% | 0.806 | S | S | * | * | trans | -67 | 162.8 | -178.2 | -62.2 | 176.8 | -41.9 | 0 | 0 | 114.5 | E184 | E184-Q186 WeakPolarHBondContact OE1-CG 3.31Š| ||
| 187 | Q | 35.3 | Very low | 38.2 | Very low | 184 Ų | 184 | 153.4 Ų | 153.4 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | 83.8 | 107.8 | 152.4 | -80.1 | 174.6 | -45.2 | 0 | 0 | 119.6 | ||||
| 188 | S | 38.8 | Very low | 38.1 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | -163.6 | 126.7 | 121.7 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 189 | V | 30.5 | Very low | 38 | Very low | 135 Ų | 135 | 151.1 Ų | 151.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -56.8 | 147.2 | 176.1 | 168.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 190 | C | 30.6 | Very low | 38.5 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 75% | 0.75 | 81% | 0.808 | S | S | * | * | 175.7 | 108.3 | 124.2 | -167.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 191 | S | 34.4 | Very low | 38.4 | Very low | 100 Ų | 100 | 147.9 Ų | 147.9 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | 66.2 | 122.9 | 134.5 | -49.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 192 | Q | 37.1 | Very low | 38.4 | Very low | 196 Ų | 196 | 151.1 Ų | 151.1 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -161.8 | 98.9 | 131.2 | -100.2 | 171.3 | 0.5 | 0 | 0 | 105.5 | ||||
| 193 | E | 43 | Very low | 37.7 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 72% | 0.715 | 81% | 0.809 | S | S | * | * | 59.5 | 105.5 | 79 | -132.3 | -171.3 | 156.3 | 0 | 0 | 115.9 | |||||
| 194 | K | 36.8 | Very low | 37.7 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 73% | 0.73 | 81% | 0.808 | S | S | * | * | trans | 59.6 | 148.3 | 151 | -72.5 | 170.6 | -177.1 | 146 | 0 | 117.9 | ||||
| 195 | D | 43.4 | Very low | 37.4 | Very low | 135 Ų | 135 | 146.2 Ų | 146.2 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | cis | -166.4 | 147.5 | 37.7 | -158.8 | -92.9 | 0 | 0 | 0 | 109.9 | ||||
| 196 | S | 49.6 | Very low | 37.5 | Very low | 186 Ų | 186 | 149 Ų | 149 | 100% | 1.301 | 82% | 0.824 | S | S | * | * | trans | 54.2 | 0 | 160.3 | -88.2 | 0 | 0 | 0 | 0 | 123.5 |
Retrieved 196 of 196 residues in 28.9 ms
(Link to these results)